N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine

C19H24N2 — CID 114698974

IUPACN-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
SMILESCc1cnccc1CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H24N2/c1-15-13-20-12-11-18(15)14-21-19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-6,11-13,17,19,21H,7-10,14H2,1H3
InChIKeyQSEOVIJIWIFJCZ-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.21
Rot. Bonds4

About N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine

N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine (PubChem CID 114698974) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
PubChem CID114698974
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
SMILESCc1cnccc1CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H24N2/c1-15-13-20-12-11-18(15)14-21-19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-6,11-13,17,19,21H,7-10,14H2,1H3
InChIKeyQSEOVIJIWIFJCZ-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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Related Compounds

3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 114698856
(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine
CID 51587201
3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
CID 114698616
N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91781720
N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 72913696
N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448832
3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 114699082
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054
2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114698819
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 114698615
3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine (CID 114698974) is N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine is Cc1cnccc1CNC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine?
The InChIKey is QSEOVIJIWIFJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15-13-20-12-11-18(15)14-21-19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-6,11-13,17,19,21H,7-10,14H2,1H3.
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine?
N-[(3-methyl-4-pyridinyl)methyl]-4-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-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 114698974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).