N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine

C13H19FN2 — CID 104953424

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cncc(F)c2)C1
InChIInChI=1S/C13H19FN2/c1-10-3-2-4-13(5-10)16-8-11-6-12(14)9-15-7-11/h6-7,9-10,13,16H,2-5,8H2,1H3
InChIKeyFNHQCQXHDBBXAF-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.89
Rot. Bonds3

About N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine

N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 104953424) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID104953424
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cncc(F)c2)C1
InChIInChI=1S/C13H19FN2/c1-10-3-2-4-13(5-10)16-8-11-6-12(14)9-15-7-11/h6-7,9-10,13,16H,2-5,8H2,1H3
InChIKeyFNHQCQXHDBBXAF-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 131008593
2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 79831119
N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115584748
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(5-fluoro-3-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine
CID 126787216
4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one
CID 106189605
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
CID 43317436
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methylcyclohexan-1-amine
CID 66164873

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine (CID 104953424) is N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2cncc(F)c2)C1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is FNHQCQXHDBBXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-3-2-4-13(5-10)16-8-11-6-12(14)9-15-7-11/h6-7,9-10,13,16H,2-5,8H2,1H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine?
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 104953424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).