N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide

C16H26N2O2 — CID 108957378

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCC1=CCCCC1)C(=O)NC1CC1
InChIInChI=1S/C16H26N2O2/c1-16(2,15(20)18-13-8-9-13)14(19)17-11-10-12-6-4-3-5-7-12/h6,13H,3-5,7-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOVJZNYGQNMZTDI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide (PubChem CID 108957378) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
PubChem CID108957378
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCC1=CCCCC1)C(=O)NC1CC1
InChIInChI=1S/C16H26N2O2/c1-16(2,15(20)18-13-8-9-13)14(19)17-11-10-12-6-4-3-5-7-12/h6,13H,3-5,7-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOVJZNYGQNMZTDI-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108959319
N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108958156
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264692
N-(4-chlorophenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959378
N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959402
2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
CID 55028534
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108959301
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 8909314
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108959365
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108959420
2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166064
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide (CID 108957378) is N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide is CC(C)(C(=O)NCCC1=CCCCC1)C(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide?
The InChIKey is OVJZNYGQNMZTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,15(20)18-13-8-9-13)14(19)17-11-10-12-6-4-3-5-7-12/h6,13H,3-5,7-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide has a molecular weight of 278.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108957378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).