N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C51H103N9 — CID 159402864

IUPACN,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CCC1CCN(CCN(C)C)CC1.CC(C)CCCCN1CCC(N2CCCCC2)CC1.CC(C)CCCCN1CCCC1.Cc1nnc2n1CCN(C(C)C)C2
InChIInChI=1S/C17H34N2.C14H30N2.C11H23N.C9H16N4/c1-16(2)8-4-7-11-18-14-9-17(10-15-18)19-12-5-3-6-13-19;1-13(2)5-6-14-7-9-16(10-8-14)12-11-15(3)4;1-11(2)7-3-4-8-12-9-5-6-10-12;1-7(2)12-4-5-13-8(3)10-11-9(13)6-12/h16-17H,3-15H2,1-2H3;13-14H,5-12H2,1-4H3;11H,3-10H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyLNOMJJWWKYMAGF-UHFFFAOYSA-N
MW842.45 g/mol
LogP10.18
Rot. Bonds18

About N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 159402864) has the molecular formula C51H103N9 and a molecular weight of 842.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID159402864
Molecular FormulaC51H103N9
Molecular Weight842.45 g/mol
Exact Mass841.83
IUPAC NameN,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CCC1CCN(CCN(C)C)CC1.CC(C)CCCCN1CCC(N2CCCCC2)CC1.CC(C)CCCCN1CCCC1.Cc1nnc2n1CCN(C(C)C)C2
InChIInChI=1S/C17H34N2.C14H30N2.C11H23N.C9H16N4/c1-16(2)8-4-7-11-18-14-9-17(10-15-18)19-12-5-3-6-13-19;1-13(2)5-6-14-7-9-16(10-8-14)12-11-15(3)4;1-11(2)7-3-4-8-12-9-5-6-10-12;1-7(2)12-4-5-13-8(3)10-11-9(13)6-12/h16-17H,3-15H2,1-2H3;13-14H,5-12H2,1-4H3;11H,3-10H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyLNOMJJWWKYMAGF-UHFFFAOYSA-N
XLogP10.18
TPSA50.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.45
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134224563
N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-piperidin-1-yl-1-propan-2-ylpiperidine
CID 157892816
7-methyl-3-[1-(6-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 166650358
(2R,6R)-4-(cyclohexylmethyl)-12-methyl-1,4,10,11-tetraazatricyclo[7.3.0.0(2),]dodeca-9,11-diene
CID 92565924
3-[1-[1-(1-Cyclohexyltetrazol-5-yl)ethyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 128017608

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 159402864) is N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)CCC1CCN(CCN(C)C)CC1.CC(C)CCCCN1CCC(N2CCCCC2)CC1.CC(C)CCCCN1CCCC1.Cc1nnc2n1CCN(C(C)C)C2.
What is the InChIKey of N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is LNOMJJWWKYMAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.C14H30N2.C11H23N.C9H16N4/c1-16(2)8-4-7-11-18-14-9-17(10-15-18)19-12-5-3-6-13-19;1-13(2)5-6-14-7-9-16(10-8-14)12-11-15(3)4;1-11(2)7-3-4-8-12-9-5-6-10-12;1-7(2)12-4-5-13-8(3)10-11-9(13)6-12/h16-17H,3-15H2,1-2H3;13-14H,5-12H2,1-4H3;11H,3-10H2,1-2H3;7H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 842.45 g/mol, XLogP of 10.18, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(3-methylbutyl)piperidin-1-yl]ethanamine;1-(5-methylhexyl)-4-piperidin-1-ylpiperidine;1-(5-methylhexyl)pyrrolidine;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 159402864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).