3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide

C17H22N2O — CID 60820921

IUPAC3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C#CCN)c1)C1CCCCC1
InChIInChI=1S/C17H22N2O/c1-19(16-10-3-2-4-11-16)17(20)15-9-5-7-14(13-15)8-6-12-18/h5,7,9,13,16H,2-4,10-12,18H2,1H3
InChIKeyQVBWPGRATCSAIR-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.40
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide

3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide (PubChem CID 60820921) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide
PubChem CID60820921
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C#CCN)c1)C1CCCCC1
InChIInChI=1S/C17H22N2O/c1-19(16-10-3-2-4-11-16)17(20)15-9-5-7-14(13-15)8-6-12-18/h5,7,9,13,16H,2-4,10-12,18H2,1H3
InChIKeyQVBWPGRATCSAIR-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82748470
3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 60822484
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 60815763
3-(3-aminoprop-1-ynyl)-N,N-diethylbenzamide
CID 60821032
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
CID 60821770
[3-(3-aminoprop-1-ynyl)phenyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968309
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63208988
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
CID 10611761

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide (CID 60820921) is 3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1cccc(C#CCN)c1)C1CCCCC1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide?
The InChIKey is QVBWPGRATCSAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(16-10-3-2-4-11-16)17(20)15-9-5-7-14(13-15)8-6-12-18/h5,7,9,13,16H,2-4,10-12,18H2,1H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide?
3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide has a molecular weight of 270.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 60820921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).