N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H25F3N2O — CID 107206782

IUPACN-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CCCCCN)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O/c1-19(9-4-2-3-8-18)13(20)11-6-5-7-12(10-11)14(15,16)17/h11-12H,2-10,18H2,1H3
InChIKeyJDDQUIIYIQKNPJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.94
Rot. Bonds6

About N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 107206782) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID107206782
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CCCCCN)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O/c1-19(9-4-2-3-8-18)13(20)11-6-5-7-12(10-11)14(15,16)17/h11-12H,2-10,18H2,1H3
InChIKeyJDDQUIIYIQKNPJ-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79543923
N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107206590
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119583364
N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107206663
N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887822
N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887932
N-(5-aminopentyl)-N-methyloxolane-3-carboxamide
CID 107206578
N-(5-aminopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107206759
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 107206782) is N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CN(CCCCCN)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is JDDQUIIYIQKNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-19(9-4-2-3-8-18)13(20)11-6-5-7-12(10-11)14(15,16)17/h11-12H,2-10,18H2,1H3.
What are the key properties of N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107206782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).