2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C17H30N2O — CID 104677581

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESNCC1(CC(=O)NCCC2=CCCCC2)CCCCC1
InChIInChI=1S/C17H30N2O/c18-14-17(10-5-2-6-11-17)13-16(20)19-12-9-15-7-3-1-4-8-15/h7H,1-6,8-14,18H2,(H,19,20)
InChIKeyDHMBCMYNDRFCBD-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.29
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 104677581) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID104677581
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESNCC1(CC(=O)NCCC2=CCCCC2)CCCCC1
InChIInChI=1S/C17H30N2O/c18-14-17(10-5-2-6-11-17)13-16(20)19-12-9-15-7-3-1-4-8-15/h7H,1-6,8-14,18H2,(H,19,20)
InChIKeyDHMBCMYNDRFCBD-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-3,7-dimethyloct-6-enyl]adamantane-1-carboxamide
CID 162652941
1-Cyclohexene-1-acetamide, 4-cyclohexyl-N-ethyl-alpha-methyl-
CID 206764
N-[2-(1-cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
CID 4621429
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]hexadecanamide
CID 85426238
N-[2-(cyclohexen-1-yl)ethyl]adamantane-1-carboxamide
CID 2933910
N-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nonanamide
CID 445411
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]tetradecanamide
CID 91376598
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]octadecanamide
CID 91402828
N-cyclohexyl-2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)acetamide
CID 101897235
(3R,11S,Z)-3,11-diethyl-7-methylazacyclotetradec-7-en-2-one
CID 163319717
2-[1-(aminomethyl)cyclohexyl]-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489831

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 104677581) is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is NCC1(CC(=O)NCCC2=CCCCC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is DHMBCMYNDRFCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c18-14-17(10-5-2-6-11-17)13-16(20)19-12-9-15-7-3-1-4-8-15/h7H,1-6,8-14,18H2,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 278.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 104677581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).