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

C13H24F3N — CID 83158414

IUPAC1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)CCCC1(N)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-10(2)4-3-7-12(17)8-5-11(6-9-12)13(14,15)16/h10-11H,3-9,17H2,1-2H3
InChIKeyQDYSBWURFMSAOJ-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.26
Rot. Bonds4

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

1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 83158414) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID83158414
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)CCCC1(N)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-10(2)4-3-7-12(17)8-5-11(6-9-12)13(14,15)16/h10-11H,3-9,17H2,1-2H3
InChIKeyQDYSBWURFMSAOJ-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 83158414) is 1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine is CC(C)CCCC1(N)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QDYSBWURFMSAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-10(2)4-3-7-12(17)8-5-11(6-9-12)13(14,15)16/h10-11H,3-9,17H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 83158414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).