3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide

C15H28N2O — CID 65264692

IUPAC3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H28N2O/c1-14(2,15(3,4)16)13(18)17-11-10-12-8-6-5-7-9-12/h8H,5-7,9-11,16H2,1-4H3,(H,17,18)
InChIKeyRKWPKSDCWXEUGN-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.76
Rot. Bonds5

About 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide

3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide (PubChem CID 65264692) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
PubChem CID65264692
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H28N2O/c1-14(2,15(3,4)16)13(18)17-11-10-12-8-6-5-7-9-12/h8H,5-7,9-11,16H2,1-4H3,(H,17,18)
InChIKeyRKWPKSDCWXEUGN-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.76
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

2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
CID 55028534
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2914644
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108959319
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197335
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108958156
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437770
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 107856010
N-(4-chlorophenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959378
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide (CID 65264692) is 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NCCC1=CCCCC1.
What is the InChIKey of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide?
The InChIKey is RKWPKSDCWXEUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2,15(3,4)16)13(18)17-11-10-12-8-6-5-7-9-12/h8H,5-7,9-11,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide?
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide has a molecular weight of 252.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).