N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine

C19H24N2 — CID 62994908

IUPACN-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine
SMILESCc1ccc(CNC2CCCCC2c2ccccc2)cn1
InChIInChI=1S/C19H24N2/c1-15-11-12-16(13-20-15)14-21-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-4,7-8,11-13,18-19,21H,5-6,9-10,14H2,1H3
InChIKeyFTGVKRVOGAKDJE-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.21
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine

N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine (PubChem CID 62994908) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine
PubChem CID62994908
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine
SMILESCc1ccc(CNC2CCCCC2c2ccccc2)cn1
InChIInChI=1S/C19H24N2/c1-15-11-12-16(13-20-15)14-21-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-4,7-8,11-13,18-19,21H,5-6,9-10,14H2,1H3
InChIKeyFTGVKRVOGAKDJE-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine (CID 62994908) is N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine is Cc1ccc(CNC2CCCCC2c2ccccc2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine?
The InChIKey is FTGVKRVOGAKDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15-11-12-16(13-20-15)14-21-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-4,7-8,11-13,18-19,21H,5-6,9-10,14H2,1H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine?
N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 62994908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).