N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine

C97H135N15O6 — CID 157258007

IUPACN-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1[nH]nc2ccc(OC(C)Cc3ccccc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCCC(C)C)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCCCOC)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCCc3ccccc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C22H29N3O.C21H27N3O.C19H23N3O.C18H29N3O.C17H27N3O2/c1-4-5-13-25(3)16-22-20-15-19(11-12-21(20)23-24-22)26-17(2)14-18-9-7-6-8-10-18;1-3-4-13-24(2)16-21-19-15-18(10-11-20(19)22-23-21)25-14-12-17-8-6-5-7-9-17;1-3-4-12-22(2)14-19-17-13-16(10-11-18(17)20-21-19)23-15-8-6-5-7-9-15;1-5-6-10-21(4)13-18-16-12-15(22-11-9-14(2)3)7-8-17(16)19-20-18;1-4-5-9-20(2)13-17-15-12-14(22-11-6-10-21-3)7-8-16(15)18-19-17/h6-12,15,17H,4-5,13-14,16H2,1-3H3,(H,23,24);5-11,15H,3-4,12-14,16H2,1-2H3,(H,22,23);5-11,13H,3-4,12,14H2,1-2H3,(H,20,21);7-8,12,14H,5-6,9-11,13H2,1-4H3,(H,19,20);7-8,12H,4-6,9-11,13H2,1-3H3,(H,18,19)
InChIKeyAXCRPRHILMJVGD-UHFFFAOYSA-N
MW1607.25 g/mol
LogP21.24
Rot. Bonds44

About N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine

N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine (PubChem CID 157258007) has the molecular formula C97H135N15O6 and a molecular weight of 1607.25 g/mol. Its IUPAC name is N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine
PubChem CID157258007
Molecular FormulaC97H135N15O6
Molecular Weight1607.25 g/mol
Exact Mass1606.07
IUPAC NameN-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1[nH]nc2ccc(OC(C)Cc3ccccc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCCC(C)C)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCCCOC)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCCc3ccccc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C22H29N3O.C21H27N3O.C19H23N3O.C18H29N3O.C17H27N3O2/c1-4-5-13-25(3)16-22-20-15-19(11-12-21(20)23-24-22)26-17(2)14-18-9-7-6-8-10-18;1-3-4-13-24(2)16-21-19-15-18(10-11-20(19)22-23-21)25-14-12-17-8-6-5-7-9-17;1-3-4-12-22(2)14-19-17-13-16(10-11-18(17)20-21-19)23-15-8-6-5-7-9-15;1-5-6-10-21(4)13-18-16-12-15(22-11-9-14(2)3)7-8-17(16)19-20-18;1-4-5-9-20(2)13-17-15-12-14(22-11-6-10-21-3)7-8-16(15)18-19-17/h6-12,15,17H,4-5,13-14,16H2,1-3H3,(H,23,24);5-11,15H,3-4,12-14,16H2,1-2H3,(H,22,23);5-11,13H,3-4,12,14H2,1-2H3,(H,20,21);7-8,12,14H,5-6,9-11,13H2,1-4H3,(H,19,20);7-8,12H,4-6,9-11,13H2,1-3H3,(H,18,19)
InChIKeyAXCRPRHILMJVGD-UHFFFAOYSA-N
XLogP21.24
TPSA214.98 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds44
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001607.25
LogP ≤ 521.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine?
The IUPAC name of N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine (CID 157258007) is N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine is CCCCN(C)Cc1[nH]nc2ccc(OC(C)Cc3ccccc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCCC(C)C)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCCCOC)cc12.CCCCN(C)Cc1[nH]nc2ccc(OCCc3ccccc3)cc12.CCCCN(C)Cc1[nH]nc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine?
The InChIKey is AXCRPRHILMJVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.C21H27N3O.C19H23N3O.C18H29N3O.C17H27N3O2/c1-4-5-13-25(3)16-22-20-15-19(11-12-21(20)23-24-22)26-17(2)14-18-9-7-6-8-10-18;1-3-4-13-24(2)16-21-19-15-18(10-11-20(19)22-23-21)25-14-12-17-8-6-5-7-9-17;1-3-4-12-22(2)14-19-17-13-16(10-11-18(17)20-21-19)23-15-8-6-5-7-9-15;1-5-6-10-21(4)13-18-16-12-15(22-11-9-14(2)3)7-8-17(16)19-20-18;1-4-5-9-20(2)13-17-15-12-14(22-11-6-10-21-3)7-8-16(15)18-19-17/h6-12,15,17H,4-5,13-14,16H2,1-3H3,(H,23,24);5-11,15H,3-4,12-14,16H2,1-2H3,(H,22,23);5-11,13H,3-4,12,14H2,1-2H3,(H,20,21);7-8,12,14H,5-6,9-11,13H2,1-4H3,(H,19,20);7-8,12H,4-6,9-11,13H2,1-3H3,(H,18,19).
What are the key properties of N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine?
N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine has a molecular weight of 1607.25 g/mol, XLogP of 21.24, 44 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 157258007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).