N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine

C11H21F2N — CID 131161365

IUPACN-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)C(C)(F)F)CC1
InChIInChI=1S/C11H21F2N/c1-8-4-6-10(7-5-8)14-9(2)11(3,12)13/h8-10,14H,4-7H2,1-3H3
InChIKeyOFNWVRITQPYNNH-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.20
Rot. Bonds3

About N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine

N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 131161365) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine
PubChem CID131161365
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC NameN-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)C(C)(F)F)CC1
InChIInChI=1S/C11H21F2N/c1-8-4-6-10(7-5-8)14-9(2)11(3,12)13/h8-10,14H,4-7H2,1-3H3
InChIKeyOFNWVRITQPYNNH-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-Ethylhexyl)cyclohexanamine
CID 221524
N,4-Dimethylcyclohexanamine
CID 4962029
N,4-dimethylcyclohexan-1-amine hydrochloride
CID 18472520
N-methyl-4-propylcyclohexan-1-amine
CID 28608095
2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
((4,4-Difluorocyclohexyl)methyl)(methyl)amine hydrochloride
CID 146049846
N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 11506560
N-(cyclohexylmethyl)propan-2-amine
CID 15365766
3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43810724
N-cyclopropyl-4-methylcyclohexan-1-amine hydrochloride
CID 45286062
N-(propan-2-yl)-4-propylcyclohexan-1-amine hydrochloride
CID 45792012
4-(3,3-Difluorobutyl)piperidine
CID 84656072

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine (CID 131161365) is N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine is CC1CCC(NC(C)C(C)(F)F)CC1.
What is the InChIKey of N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is OFNWVRITQPYNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-8-4-6-10(7-5-8)14-9(2)11(3,12)13/h8-10,14H,4-7H2,1-3H3.
What are the key properties of N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine?
N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 205.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 131161365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).