N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide

C17H24N2O — CID 107365878

IUPACN-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)C1CC=CCC1
InChIInChI=1S/C17H24N2O/c18-12-7-13-19(14-15-8-3-1-4-9-15)17(20)16-10-5-2-6-11-16/h1-5,8-9,16H,6-7,10-14,18H2
InChIKeyLTQTZFCMPXIWNI-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.72
Rot. Bonds6

About N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide

N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide (PubChem CID 107365878) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
PubChem CID107365878
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)C1CC=CCC1
InChIInChI=1S/C17H24N2O/c18-12-7-13-19(14-15-8-3-1-4-9-15)17(20)16-10-5-2-6-11-16/h1-5,8-9,16H,6-7,10-14,18H2
InChIKeyLTQTZFCMPXIWNI-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
CID 112791258
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 60592086
1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide
CID 120649215
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide (CID 107365878) is N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide is NCCCN(Cc1ccccc1)C(=O)C1CC=CCC1.
What is the InChIKey of N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide?
The InChIKey is LTQTZFCMPXIWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-12-7-13-19(14-15-8-3-1-4-9-15)17(20)16-10-5-2-6-11-16/h1-5,8-9,16H,6-7,10-14,18H2.
What are the key properties of N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide?
N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 107365878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).