N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine

C12H21F2N — CID 170215432

IUPACN-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)C1(C(F)F)CC1
InChIInChI=1S/C12H21F2N/c1-9(12(7-8-12)11(13)14)15-10-5-3-2-4-6-10/h9-11,15H,2-8H2,1H3
InChIKeyIBHHNQWEZPRFSU-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.34
Rot. Bonds4

About N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine

N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine (PubChem CID 170215432) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine
PubChem CID170215432
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC NameN-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)C1(C(F)F)CC1
InChIInChI=1S/C12H21F2N/c1-9(12(7-8-12)11(13)14)15-10-5-3-2-4-6-10/h9-11,15H,2-8H2,1H3
InChIKeyIBHHNQWEZPRFSU-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propan-2-ylcycloheptanamine
CID 42562651
N-[1-(1-adamantyl)ethyl]cyclohexanamine
CID 11777452
1-[1-(cyclopentylamino)ethyl]cyclopentane-1-carboxylic acid
CID 91470883
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(3-methylbutan-2-yl)cycloheptanamine
CID 43181172
N-[1-(1-methylcyclopropyl)ethyl]cyclopropanamine
CID 43363059
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
1-(cyclopentylamino)ethanol
CID 18784157
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
3-(cyclohexylamino)butanal
CID 163514987
(2S)-2-(cyclohexylamino)propanal
CID 18666973

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine?
The IUPAC name of N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine (CID 170215432) is N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine?
The canonical SMILES for N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine is CC(NC1CCCCC1)C1(C(F)F)CC1.
What is the InChIKey of N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine?
The InChIKey is IBHHNQWEZPRFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c1-9(12(7-8-12)11(13)14)15-10-5-3-2-4-6-10/h9-11,15H,2-8H2,1H3.
What are the key properties of N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine?
N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine has a molecular weight of 217.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethyl)cyclopropyl]ethyl]cyclohexanamine is sourced from PubChem (CID 170215432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).