(3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide

C13H22N2O — CID 143487062

IUPAC(3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide
SMILESC=C(C(N)=O)[C@H](CNC)CC1CC=CCC1
InChIInChI=1S/C13H22N2O/c1-10(13(14)16)12(9-15-2)8-11-6-4-3-5-7-11/h3-4,11-12,15H,1,5-9H2,2H3,(H2,14,16)/t11?,12-/m0/s1
InChIKeyLATKUENVLJHTAZ-KIYNQFGBSA-N
MW222.33 g/mol
LogP1.61
Rot. Bonds6

About (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide

(3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide (PubChem CID 143487062) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide.

Molecular Properties

Compound Name(3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide
PubChem CID143487062
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide
SMILESC=C(C(N)=O)[C@H](CNC)CC1CC=CCC1
InChIInChI=1S/C13H22N2O/c1-10(13(14)16)12(9-15-2)8-11-6-4-3-5-7-11/h3-4,11-12,15H,1,5-9H2,2H3,(H2,14,16)/t11?,12-/m0/s1
InChIKeyLATKUENVLJHTAZ-KIYNQFGBSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4R,5R,6S)-N-(2-methylpropyl)-5-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,6-dipentylcyclohex-2-ene-1-carboxamide
CID 11259394
(1S,4R,5R,6S)-N-(2-methylpropyl)-6-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,5-dipentylcyclohex-2-ene-1-carboxamide
CID 53243800
N-(2-methylpropyl)-5-[3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,6-dipentylcyclohex-2-ene-1-carboxamide
CID 72773054
N-methyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10442283
4-prop-1-en-2-yl-N-propylcyclohexene-1-carboxamide
CID 10443013
2-Methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)propanamide
CID 17979188
N,4-dimethylcyclohexene-1-carboxamide
CID 58319487
(4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide
CID 58650855
3-Cyclohex-3-enyl-N-methyl-propionamide
CID 66707598
N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide
CID 67393095
N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide
CID 67980786
N-methyl-4-piperidin-4-ylcyclohexene-1-carboxamide
CID 68083020

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide?
The IUPAC name of (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide (CID 143487062) is (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide.
What is the SMILES notation for (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide?
The canonical SMILES for (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide is C=C(C(N)=O)[C@H](CNC)CC1CC=CCC1.
What is the InChIKey of (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide?
The InChIKey is LATKUENVLJHTAZ-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(13(14)16)12(9-15-2)8-11-6-4-3-5-7-11/h3-4,11-12,15H,1,5-9H2,2H3,(H2,14,16)/t11?,12-/m0/s1.
What are the key properties of (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide?
(3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide has a molecular weight of 222.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclohex-3-en-1-ylmethyl)-4-(methylamino)-2-methylidenebutanamide is sourced from PubChem (CID 143487062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).