N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine

C13H19FN2 — CID 115757282

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCc2ncccc2F)CC1
InChIInChI=1S/C13H19FN2/c1-10-4-6-11(7-5-10)16-9-13-12(14)3-2-8-15-13/h2-3,8,10-11,16H,4-7,9H2,1H3
InChIKeyBCWDQQDSLUGCLS-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.89
Rot. Bonds3

About N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine

N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 115757282) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID115757282
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCc2ncccc2F)CC1
InChIInChI=1S/C13H19FN2/c1-10-4-6-11(7-5-10)16-9-13-12(14)3-2-8-15-13/h2-3,8,10-11,16H,4-7,9H2,1H3
InChIKeyBCWDQQDSLUGCLS-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

N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 115757258
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-2-amine
CID 75431488
N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841874
N-[(3-methylsulfanylpyrazin-2-yl)methyl]cyclopropanamine
CID 66569575

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine (CID 115757282) is N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(NCc2ncccc2F)CC1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is BCWDQQDSLUGCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-4-6-11(7-5-10)16-9-13-12(14)3-2-8-15-13/h2-3,8,10-11,16H,4-7,9H2,1H3.
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine?
N-[(3-fluoro-2-pyridinyl)methyl]-4-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-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 115757282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).