N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine

C16H23N3O — CID 65165688

IUPACN-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
SMILESCNCc1nn(CCCC2CCCO2)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-17-12-15-14-8-2-3-9-16(14)19(18-15)10-4-6-13-7-5-11-20-13/h2-3,8-9,13,17H,4-7,10-12H2,1H3
InChIKeyKGMKKVGZGDDAOU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.71
Rot. Bonds6

About N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine

N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine (PubChem CID 65165688) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
PubChem CID65165688
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
SMILESCNCc1nn(CCCC2CCCO2)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-17-12-15-14-8-2-3-9-16(14)19(18-15)10-4-6-13-7-5-11-20-13/h2-3,8-9,13,17H,4-7,10-12H2,1H3
InChIKeyKGMKKVGZGDDAOU-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521
1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine
CID 103184311
N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125159688
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine
CID 65162434
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204
N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 103127434
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015728
2-methyl-1-[3-(oxolan-2-yl)propyl]indole
CID 65165792
1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697791
N-methyl-2-[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]ethanamine
CID 65165238
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one
CID 116626772

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine (CID 65165688) is N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine is CNCc1nn(CCCC2CCCO2)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine?
The InChIKey is KGMKKVGZGDDAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-12-15-14-8-2-3-9-16(14)19(18-15)10-4-6-13-7-5-11-20-13/h2-3,8-9,13,17H,4-7,10-12H2,1H3.
What are the key properties of N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine?
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine is sourced from PubChem (CID 65165688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).