N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane

C15H27F2N — CID 154694577

IUPACN-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane
SMILESCC(C)C.CC1=CCC(NC2CC(F)(F)C2)CC1
InChIInChI=1S/C11H17F2N.C4H10/c1-8-2-4-9(5-3-8)14-10-6-11(12,13)7-10;1-4(2)3/h2,9-10,14H,3-7H2,1H3;4H,1-3H3
InChIKeyQSEGXOCDAWMQFK-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.53
Rot. Bonds2

About N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane

N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane (PubChem CID 154694577) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane
PubChem CID154694577
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC NameN-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane
SMILESCC(C)C.CC1=CCC(NC2CC(F)(F)C2)CC1
InChIInChI=1S/C11H17F2N.C4H10/c1-8-2-4-9(5-3-8)14-10-6-11(12,13)7-10;1-4(2)3/h2,9-10,14H,3-7H2,1H3;4H,1-3H3
InChIKeyQSEGXOCDAWMQFK-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane 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

N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317183
(1R)-N,4-dimethylcyclohex-3-en-1-amine
CID 15748124
3-bromo-7-[4-[(3,3-difluorocyclobutyl)amino]cyclohexen-1-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
CID 164769304
(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine
CID 124850379
(1R)-N-butyl-4-methylcyclohex-3-en-1-amine
CID 89370535
1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol
CID 18968481
(3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 170652295
1,4-dimethyl(113C)cyclohexene
CID 11018826
N-(3,3-difluorocyclobutyl)-2-methylcyclopentan-1-amine
CID 130660555
ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 145316988
2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol
CID 10931690
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane?
The IUPAC name of N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane (CID 154694577) is N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane is CC(C)C.CC1=CCC(NC2CC(F)(F)C2)CC1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane?
The InChIKey is QSEGXOCDAWMQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N.C4H10/c1-8-2-4-9(5-3-8)14-10-6-11(12,13)7-10;1-4(2)3/h2,9-10,14H,3-7H2,1H3;4H,1-3H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane?
N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane has a molecular weight of 259.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane is sourced from PubChem (CID 154694577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).