1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine

C19H29N3 — CID 84760176

IUPAC1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine
SMILESCCCCC1CCC(c2nc(CNC)c3ccccn23)CC1
InChIInChI=1S/C19H29N3/c1-3-4-7-15-9-11-16(12-10-15)19-21-17(14-20-2)18-8-5-6-13-22(18)19/h5-6,8,13,15-16,20H,3-4,7,9-12,14H2,1-2H3
InChIKeyWKTPFLNTSMTPFI-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.52
Rot. Bonds6

About 1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine

1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine (PubChem CID 84760176) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine
PubChem CID84760176
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine
SMILESCCCCC1CCC(c2nc(CNC)c3ccccn23)CC1
InChIInChI=1S/C19H29N3/c1-3-4-7-15-9-11-16(12-10-15)19-21-17(14-20-2)18-8-5-6-13-22(18)19/h5-6,8,13,15-16,20H,3-4,7,9-12,14H2,1-2H3
InChIKeyWKTPFLNTSMTPFI-UHFFFAOYSA-N
XLogP4.52
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine (CID 84760176) is 1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine is CCCCC1CCC(c2nc(CNC)c3ccccn23)CC1.
What is the InChIKey of 1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine?
The InChIKey is WKTPFLNTSMTPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-3-4-7-15-9-11-16(12-10-15)19-21-17(14-20-2)18-8-5-6-13-22(18)19/h5-6,8,13,15-16,20H,3-4,7,9-12,14H2,1-2H3.
What are the key properties of 1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine?
1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine has a molecular weight of 299.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-butylcyclohexyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine is sourced from PubChem (CID 84760176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).