1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine

C18H35F2N — CID 105128102

IUPAC1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)C1CCC(F)(F)CC1
InChIInChI=1S/C18H35F2N/c1-3-5-6-7-8-9-10-17(21-15-4-2)16-11-13-18(19,20)14-12-16/h16-17,21H,3-15H2,1-2H3
InChIKeyVVRZMIOVDCZIEO-UHFFFAOYSA-N
MW303.48 g/mol
LogP5.93
Rot. Bonds11

About 1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine

1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine (PubChem CID 105128102) has the molecular formula C18H35F2N and a molecular weight of 303.48 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine
PubChem CID105128102
Molecular FormulaC18H35F2N
Molecular Weight303.48 g/mol
Exact Mass303.27
IUPAC Name1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)C1CCC(F)(F)CC1
InChIInChI=1S/C18H35F2N/c1-3-5-6-7-8-9-10-17(21-15-4-2)16-11-13-18(19,20)14-12-16/h16-17,21H,3-15H2,1-2H3
InChIKeyVVRZMIOVDCZIEO-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.48
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4,4-difluorocyclohexyl)-N-propylnonan-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-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
CID 65390648
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine
CID 105138999
1-(3,3-difluorocyclopentyl)-N-propylhex-5-en-1-amine
CID 114216364
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
CID 107004336
1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine
CID 115336970
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
CID 105153076
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine (CID 105128102) is 1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine is CCCCCCCCC(NCCC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine?
The InChIKey is VVRZMIOVDCZIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35F2N/c1-3-5-6-7-8-9-10-17(21-15-4-2)16-11-13-18(19,20)14-12-16/h16-17,21H,3-15H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine?
1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine has a molecular weight of 303.48 g/mol, XLogP of 5.93, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine is sourced from PubChem (CID 105128102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).