1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine

C15H27F2N — CID 105164021

IUPAC1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCC(F)(F)CC1
InChIInChI=1S/C15H27F2N/c1-4-10-18-14(11-12(3)5-2)13-6-8-15(16,17)9-7-13/h13-14,18H,3-11H2,1-2H3
InChIKeyPKSCVCHEKCFTMR-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.54
Rot. Bonds7

About 1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine

1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine (PubChem CID 105164021) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine
PubChem CID105164021
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCC(F)(F)CC1
InChIInChI=1S/C15H27F2N/c1-4-10-18-14(11-12(3)5-2)13-6-8-15(16,17)9-7-13/h13-14,18H,3-11H2,1-2H3
InChIKeyPKSCVCHEKCFTMR-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453
2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
CID 123548028
2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine
CID 123961973
4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine
CID 129035356
4-(4,4-Difluorohex-1-en-2-yl)cyclohexan-1-amine
CID 134430016
3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
CID 134570911
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
CID 137400808
N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
CID 138459920

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine (CID 105164021) is 1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine is C=C(CC)CC(NCCC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine?
The InChIKey is PKSCVCHEKCFTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-4-10-18-14(11-12(3)5-2)13-6-8-15(16,17)9-7-13/h13-14,18H,3-11H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine?
1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine has a molecular weight of 259.38 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-methylidene-N-propylpentan-1-amine is sourced from PubChem (CID 105164021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).