1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine

C9H17F2N — CID 105436965

IUPAC1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine
SMILESCC(C)(CCC1(N)CC1)C(F)F
InChIInChI=1S/C9H17F2N/c1-8(2,7(10)11)3-4-9(12)5-6-9/h7H,3-6,12H2,1-2H3
InChIKeySNLHZDAHQLSVKQ-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.55
Rot. Bonds4

About 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine

1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine (PubChem CID 105436965) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine
PubChem CID105436965
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine
SMILESCC(C)(CCC1(N)CC1)C(F)F
InChIInChI=1S/C9H17F2N/c1-8(2,7(10)11)3-4-9(12)5-6-9/h7H,3-6,12H2,1-2H3
InChIKeySNLHZDAHQLSVKQ-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-3,4-dimethylpentyl)cyclopropan-1-amine
CID 105435649
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521
1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411887
4-(3,3-dimethylbutyl)oxan-4-amine
CID 63220278
1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine
CID 105471508
1-(2,3,3,3-tetrafluoropropyl)cyclopropan-1-amine
CID 84731893
1-(4-methyl-3-propan-2-ylpentyl)cyclopropan-1-amine
CID 105440880
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
1-(2,2-dimethylpropyl)cyclopropan-1-amine;hydrochloride
CID 51000356
1-(3-fluoropropyl)cyclopropan-1-amine
CID 105427107
1-(5-methylhexyl)cyclopropan-1-amine
CID 83905195
1-pentylcyclopropan-1-amine
CID 66023547

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine?
The IUPAC name of 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine (CID 105436965) is 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine is CC(C)(CCC1(N)CC1)C(F)F.
What is the InChIKey of 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine?
The InChIKey is SNLHZDAHQLSVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-8(2,7(10)11)3-4-9(12)5-6-9/h7H,3-6,12H2,1-2H3.
What are the key properties of 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine?
1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine has a molecular weight of 177.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine is sourced from PubChem (CID 105436965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).