2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide

C11H20N2O — CID 103914307

IUPAC2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide
SMILESCC(C)C(NC1C=CCCC1)C(N)=O
InChIInChI=1S/C11H20N2O/c1-8(2)10(11(12)14)13-9-6-4-3-5-7-9/h4,6,8-10,13H,3,5,7H2,1-2H3,(H2,12,14)
InChIKeyZBALIKOISWNDFT-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.19
Rot. Bonds4

About 2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide

2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide (PubChem CID 103914307) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide
PubChem CID103914307
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide
SMILESCC(C)C(NC1C=CCCC1)C(N)=O
InChIInChI=1S/C11H20N2O/c1-8(2)10(11(12)14)13-9-6-4-3-5-7-9/h4,6,8-10,13H,3,5,7H2,1-2H3,(H2,12,14)
InChIKeyZBALIKOISWNDFT-UHFFFAOYSA-N
XLogP1.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.19
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

(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride
CID 130677946
N-(1-cyclobutylethyl)cyclohex-2-en-1-amine
CID 103903529
2-(cyclohex-2-en-1-ylamino)-N-ethyl-N-methylpropanamide
CID 107908317
2-(cyclohex-2-en-1-ylamino)propane-1,3-diol
CID 107907132
methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate
CID 115618836
N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 104531391
ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate
CID 124885895
methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate
CID 75502666
2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate
CID 86086396
2-[2-(cyclohex-2-en-1-ylamino)ethoxy]acetamide
CID 106238210
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
cis-(1S,2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106344045

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide?
The IUPAC name of 2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide (CID 103914307) is 2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide.
What is the SMILES notation for 2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide?
The canonical SMILES for 2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide is CC(C)C(NC1C=CCCC1)C(N)=O.
What is the InChIKey of 2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide?
The InChIKey is ZBALIKOISWNDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)10(11(12)14)13-9-6-4-3-5-7-9/h4,6,8-10,13H,3,5,7H2,1-2H3,(H2,12,14).
What are the key properties of 2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide?
2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide has a molecular weight of 196.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide is sourced from PubChem (CID 103914307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).