1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide

C15H29N3O — CID 54988928

IUPAC1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(CN)C(N2CC(C(N)=O)CCC2C)C1
InChIInChI=1S/C15H29N3O/c1-10-3-5-12(8-16)14(7-10)18-9-13(15(17)19)6-4-11(18)2/h10-14H,3-9,16H2,1-2H3,(H2,17,19)
InChIKeyLAURNHMJDNSBAY-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.34
Rot. Bonds3

About 1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide

1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide (PubChem CID 54988928) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide
PubChem CID54988928
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(CN)C(N2CC(C(N)=O)CCC2C)C1
InChIInChI=1S/C15H29N3O/c1-10-3-5-12(8-16)14(7-10)18-9-13(15(17)19)6-4-11(18)2/h10-14H,3-9,16H2,1-2H3,(H2,17,19)
InChIKeyLAURNHMJDNSBAY-UHFFFAOYSA-N
XLogP1.34
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide (CID 54988928) is 1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide is CC1CCC(CN)C(N2CC(C(N)=O)CCC2C)C1.
What is the InChIKey of 1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is LAURNHMJDNSBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-10-3-5-12(8-16)14(7-10)18-9-13(15(17)19)6-4-11(18)2/h10-14H,3-9,16H2,1-2H3,(H2,17,19).
What are the key properties of 1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide?
1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 54988928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).