6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine

C15H25N3 — CID 83123084

IUPAC6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
SMILESCC1CCC(N(C)c2ccc([C@H](C)N)nc2)CC1
InChIInChI=1S/C15H25N3/c1-11-4-6-13(7-5-11)18(3)14-8-9-15(12(2)16)17-10-14/h8-13H,4-7,16H2,1-3H3/t11?,12-,13?/m0/s1
InChIKeyWONCTTZKNBLBKQ-CPCZMJQVSA-N
MW247.39 g/mol
LogP3.12
Rot. Bonds3

About 6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine

6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine (PubChem CID 83123084) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
PubChem CID83123084
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
SMILESCC1CCC(N(C)c2ccc([C@H](C)N)nc2)CC1
InChIInChI=1S/C15H25N3/c1-11-4-6-13(7-5-11)18(3)14-8-9-15(12(2)16)17-10-14/h8-13H,4-7,16H2,1-3H3/t11?,12-,13?/m0/s1
InChIKeyWONCTTZKNBLBKQ-CPCZMJQVSA-N
XLogP3.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine (CID 83123084) is 6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine is CC1CCC(N(C)c2ccc([C@H](C)N)nc2)CC1.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine?
The InChIKey is WONCTTZKNBLBKQ-CPCZMJQVSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-4-6-13(7-5-11)18(3)14-8-9-15(12(2)16)17-10-14/h8-13H,4-7,16H2,1-3H3/t11?,12-,13?/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine?
6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine is sourced from PubChem (CID 83123084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).