N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine

C17H31F2N — CID 177148483

IUPACN-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCC(NCC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C17H31F2N/c1-13(2)11-14-3-5-16(6-4-14)20-12-15-7-9-17(18,19)10-8-15/h13-16,20H,3-12H2,1-2H3
InChIKeyANZIHVPTLDDNPH-UHFFFAOYSA-N
MW287.44 g/mol
LogP5.01
Rot. Bonds5

About N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine

N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 177148483) has the molecular formula C17H31F2N and a molecular weight of 287.44 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine
PubChem CID177148483
Molecular FormulaC17H31F2N
Molecular Weight287.44 g/mol
Exact Mass287.24
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCC(NCC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C17H31F2N/c1-13(2)11-14-3-5-16(6-4-14)20-12-15-7-9-17(18,19)10-8-15/h13-16,20H,3-12H2,1-2H3
InChIKeyANZIHVPTLDDNPH-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,3S)-N-[(4,4-difluorocyclohexyl)methyl]-3-methylcyclopentan-1-amine
CID 169215553
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63462599
(5S)-N-[(4,4-difluorocyclohexyl)methyl]-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-amine
CID 177148641
N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine
CID 155019686
4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 177148467
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
CID 104867709
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704648
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105152813
ethane;7-(2-methylpropyl)-2-azaspiro[3.5]nonane
CID 177021220

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine (CID 177148483) is N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCC(NCC2CCC(F)(F)CC2)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is ANZIHVPTLDDNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F2N/c1-13(2)11-14-3-5-16(6-4-14)20-12-15-7-9-17(18,19)10-8-15/h13-16,20H,3-12H2,1-2H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine?
N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 287.44 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 177148483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).