4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

C13H24F3N — CID 79039992

IUPAC4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCCCC1CCC(NCCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-2-4-11-5-7-12(8-6-11)17-10-3-9-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeySLXSICMRZMDPFR-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.28
Rot. Bonds6

About 4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (PubChem CID 79039992) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
PubChem CID79039992
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCCCC1CCC(NCCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-2-4-11-5-7-12(8-6-11)17-10-3-9-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeySLXSICMRZMDPFR-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-propylcyclohexan-1-amine
CID 43080052
4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 177148467
N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115520291
3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039078
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
CID 28672998
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
CID 82959515
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propylcyclohexan-1-amine
CID 28656952
4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
CID 115491425
N-but-3-ynyl-4-propylcyclohexan-1-amine
CID 63656858
N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide
CID 77031889
4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol
CID 115519605

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The IUPAC name of 4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (CID 79039992) is 4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The canonical SMILES for 4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is CCCC1CCC(NCCCC(F)(F)F)CC1.
What is the InChIKey of 4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The InChIKey is SLXSICMRZMDPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-2-4-11-5-7-12(8-6-11)17-10-3-9-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of 4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is sourced from PubChem (CID 79039992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).