1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine

C14H25F2N — CID 105153470

IUPAC1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2N/c1-3-5-6-13(17-11-4-2)12-7-9-14(15,16)10-8-12/h3,12-13,17H,1,4-11H2,2H3
InChIKeyGAZOPKWGDGCFNL-UHFFFAOYSA-N
MW245.36 g/mol
LogP4.15
Rot. Bonds7

About 1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine

1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine (PubChem CID 105153470) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine
PubChem CID105153470
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2N/c1-3-5-6-13(17-11-4-2)12-7-9-14(15,16)10-8-12/h3,12-13,17H,1,4-11H2,2H3
InChIKeyGAZOPKWGDGCFNL-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 54.15
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

1-(4,4-Difluorocyclohexyl)prop-2-en-1-amine;hydrochloride
CID 177798596
2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
CID 123882757
4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine
CID 129035356
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
1-(3,3-Difluorocyclohexyl)prop-2-en-1-amine
CID 130484909
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
2-Cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine
CID 144521660
N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-5,5-difluoro-2-methylcyclohexan-1-amine
CID 145631244
1,1,1-trifluoro-N-(3-methylbutan-2-yl)oct-7-en-2-amine
CID 156093459
cis-(1R,6R)-2,2-difluoro-6-[4-[propan-2-yl(propyl)amino]but-1-en-2-yl]cyclohexan-1-amine
CID 156429557

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine (CID 105153470) is 1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine is C=CCCC(NCCC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine?
The InChIKey is GAZOPKWGDGCFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-3-5-6-13(17-11-4-2)12-7-9-14(15,16)10-8-12/h3,12-13,17H,1,4-11H2,2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine?
1-(4,4-difluorocyclohexyl)-N-propylpent-4-en-1-amine has a molecular weight of 245.36 g/mol, XLogP of 4.15, 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)-N-propylpent-4-en-1-amine is sourced from PubChem (CID 105153470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).