N-(cyclohexylmethyl)-3-methylpyridin-2-amine

C13H20N2 — CID 60960481

IUPACN-(cyclohexylmethyl)-3-methylpyridin-2-amine
SMILESCc1cccnc1NCC1CCCCC1
InChIInChI=1S/C13H20N2/c1-11-6-5-9-14-13(11)15-10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyPQYACFSITGGYAD-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.38
Rot. Bonds3

About N-(cyclohexylmethyl)-3-methylpyridin-2-amine

N-(cyclohexylmethyl)-3-methylpyridin-2-amine (PubChem CID 60960481) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-methylpyridin-2-amine
PubChem CID60960481
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(cyclohexylmethyl)-3-methylpyridin-2-amine
SMILESCc1cccnc1NCC1CCCCC1
InChIInChI=1S/C13H20N2/c1-11-6-5-9-14-13(11)15-10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyPQYACFSITGGYAD-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-methylpyridin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-methylpyridin-2-amine (CID 60960481) is N-(cyclohexylmethyl)-3-methylpyridin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-methylpyridin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-methylpyridin-2-amine is Cc1cccnc1NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-methylpyridin-2-amine?
The InChIKey is PQYACFSITGGYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-6-5-9-14-13(11)15-10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,14,15).
What are the key properties of N-(cyclohexylmethyl)-3-methylpyridin-2-amine?
N-(cyclohexylmethyl)-3-methylpyridin-2-amine has a molecular weight of 204.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 60960481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).