5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine

C17H29N3 — CID 80634982

IUPAC5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine
SMILESCC(N)Cc1ccc(N(C)C2CCC(C)(C)CC2)nc1
InChIInChI=1S/C17H29N3/c1-13(18)11-14-5-6-16(19-12-14)20(4)15-7-9-17(2,3)10-8-15/h5-6,12-13,15H,7-11,18H2,1-4H3
InChIKeyOOMKBYNSRXIGMR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.38
Rot. Bonds4

About 5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine

5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine (PubChem CID 80634982) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine
PubChem CID80634982
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine
SMILESCC(N)Cc1ccc(N(C)C2CCC(C)(C)CC2)nc1
InChIInChI=1S/C17H29N3/c1-13(18)11-14-5-6-16(19-12-14)20(4)15-7-9-17(2,3)10-8-15/h5-6,12-13,15H,7-11,18H2,1-4H3
InChIKeyOOMKBYNSRXIGMR-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine (CID 80634982) is 5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine is CC(N)Cc1ccc(N(C)C2CCC(C)(C)CC2)nc1.
What is the InChIKey of 5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine?
The InChIKey is OOMKBYNSRXIGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(18)11-14-5-6-16(19-12-14)20(4)15-7-9-17(2,3)10-8-15/h5-6,12-13,15H,7-11,18H2,1-4H3.
What are the key properties of 5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine?
5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-(4,4-dimethylcyclohexyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 80634982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).