N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C13H23F3N2O — CID 106122324

IUPACN-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(N)CCCNC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-9(17)3-2-8-18-12(19)10-4-6-11(7-5-10)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyQRYPBZJQTJHSAW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds5

About N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106122324) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106122324
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(N)CCCNC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-9(17)3-2-8-18-12(19)10-4-6-11(7-5-10)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyQRYPBZJQTJHSAW-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 107832364
(2S)-2-hydroxy-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 107834559
N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106285887
N-(5-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103861947
N-(4-bromopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106131544
N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 82721720
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927132
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
N-but-3-yn-2-yl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114418969
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 119270340

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106122324) is N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is CC(N)CCCNC(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is QRYPBZJQTJHSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-9(17)3-2-8-18-12(19)10-4-6-11(7-5-10)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19).
What are the key properties of N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106122324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).