N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H24F3N — CID 64755278

IUPACN-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)CCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-10(2)4-3-9-17-12-7-5-11(6-8-12)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyPWAUULHIQNOHTA-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.13
Rot. Bonds5

About N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755278) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755278
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC NameN-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)CCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-10(2)4-3-9-17-12-7-5-11(6-8-12)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyPWAUULHIQNOHTA-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755278) is N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine is CC(C)CCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PWAUULHIQNOHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-10(2)4-3-9-17-12-7-5-11(6-8-12)13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).