4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine

C13H22N2 — CID 163848992

IUPAC4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine
SMILESC=C(C)CNC1CC=C(/C(C)=N/C)CC1
InChIInChI=1S/C13H22N2/c1-10(2)9-15-13-7-5-12(6-8-13)11(3)14-4/h5,13,15H,1,6-9H2,2-4H3/b14-11+
InChIKeyOSRTTWQDCZSYQH-SDNWHVSQSA-N
MW206.33 g/mol
LogP2.72
Rot. Bonds4

About 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine

4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine (PubChem CID 163848992) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine
PubChem CID163848992
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine
SMILESC=C(C)CNC1CC=C(/C(C)=N/C)CC1
InChIInChI=1S/C13H22N2/c1-10(2)9-15-13-7-5-12(6-8-13)11(3)14-4/h5,13,15H,1,6-9H2,2-4H3/b14-11+
InChIKeyOSRTTWQDCZSYQH-SDNWHVSQSA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine 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

(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine
CID 177021763
2-Methyl-4-pentyl-1,2,3,6-tetrahydropyridine
CID 70542347
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
CID 89154206
(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine
CID 89271099
N-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
CID 89742668
2,3,4,6,7,8-Hexahydro-1,7-naphthyridine
CID 90932734
[6-(3-Methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine
CID 91229717
1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
CID 91539250
N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
CID 121442677
1-(6-Iminocyclohexen-1-yl)ethanamine
CID 123374353

Frequently Asked Questions

What is the IUPAC name of 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine?
The IUPAC name of 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine (CID 163848992) is 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine?
The canonical SMILES for 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine is C=C(C)CNC1CC=C(/C(C)=N/C)CC1.
What is the InChIKey of 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine?
The InChIKey is OSRTTWQDCZSYQH-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)9-15-13-7-5-12(6-8-13)11(3)14-4/h5,13,15H,1,6-9H2,2-4H3/b14-11+.
What are the key properties of 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine?
4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 163848992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).