4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

C12H16F2N2 — CID 126787190

IUPAC4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESFC1(F)CCC(NCc2cccnc2)CC1
InChIInChI=1S/C12H16F2N2/c13-12(14)5-3-11(4-6-12)16-9-10-2-1-7-15-8-10/h1-2,7-8,11,16H,3-6,9H2
InChIKeyIVCFCLIRLPUVSI-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.75
Rot. Bonds3

About 4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 126787190) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
PubChem CID126787190
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESFC1(F)CCC(NCc2cccnc2)CC1
InChIInChI=1S/C12H16F2N2/c13-12(14)5-3-11(4-6-12)16-9-10-2-1-7-15-8-10/h1-2,7-8,11,16H,3-6,9H2
InChIKeyIVCFCLIRLPUVSI-UHFFFAOYSA-N
XLogP2.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
CID 141409752
1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397449
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
5,5-dimethyl-N-(pyridin-3-ylmethyl)thian-3-amine
CID 79955058
3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 43634519

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (CID 126787190) is 4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is FC1(F)CCC(NCc2cccnc2)CC1.
What is the InChIKey of 4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is IVCFCLIRLPUVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-12(14)5-3-11(4-6-12)16-9-10-2-1-7-15-8-10/h1-2,7-8,11,16H,3-6,9H2.
What are the key properties of 4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 226.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 126787190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).