N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine

C16H28F3N — CID 105153285

IUPACN-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H28F3N/c1-3-5-6-7-15(20-12-4-2)13-8-10-14(11-9-13)16(17,18)19/h3,13-15,20H,1,4-12H2,2H3
InChIKeyNPWMWGPAOCZHIY-UHFFFAOYSA-N
MW291.40 g/mol
LogP5.08
Rot. Bonds8

About N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine

N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine (PubChem CID 105153285) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine.

Molecular Properties

Compound NameN-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
PubChem CID105153285
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC NameN-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H28F3N/c1-3-5-6-7-15(20-12-4-2)13-8-10-14(11-9-13)16(17,18)19/h3,13-15,20H,1,4-12H2,2H3
InChIKeyNPWMWGPAOCZHIY-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
The IUPAC name of N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine (CID 105153285) is N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine.
What is the SMILES notation for N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
The canonical SMILES for N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine is C=CCCCC(NCCC)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
The InChIKey is NPWMWGPAOCZHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-3-5-6-7-15(20-12-4-2)13-8-10-14(11-9-13)16(17,18)19/h3,13-15,20H,1,4-12H2,2H3.
What are the key properties of N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine has a molecular weight of 291.40 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine is sourced from PubChem (CID 105153285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).