azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene

C25H44N2 — CID 144834767

IUPACazane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene
SMILESC/N=C/C1CCCC(C2CC=CCC2)C1.C=CCC1=CCCC=C1.CC.N
InChIInChI=1S/C14H23N.C9H12.C2H6.H3N/c1-15-11-12-6-5-9-14(10-12)13-7-3-2-4-8-13;1-2-6-9-7-4-3-5-8-9;1-2;/h2-3,11-14H,4-10H2,1H3;2,4,7-8H,1,3,5-6H2;1-2H3;1H3/b15-11+;;;
InChIKeyGMOFMJWXSLVXKQ-AKHNGERGSA-N
MW372.64 g/mol
LogP7.88
Rot. Bonds4

About azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene

azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene (PubChem CID 144834767) has the molecular formula C25H44N2 and a molecular weight of 372.64 g/mol. Its IUPAC name is azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameazane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene
PubChem CID144834767
Molecular FormulaC25H44N2
Molecular Weight372.64 g/mol
Exact Mass372.35
IUPAC Nameazane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene
SMILESC/N=C/C1CCCC(C2CC=CCC2)C1.C=CCC1=CCCC=C1.CC.N
InChIInChI=1S/C14H23N.C9H12.C2H6.H3N/c1-15-11-12-6-5-9-14(10-12)13-7-3-2-4-8-13;1-2-6-9-7-4-3-5-8-9;1-2;/h2-3,11-14H,4-10H2,1H3;2,4,7-8H,1,3,5-6H2;1-2H3;1H3/b15-11+;;;
InChIKeyGMOFMJWXSLVXKQ-AKHNGERGSA-N
XLogP7.88
TPSA47.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 57.88
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 azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene?
The IUPAC name of azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene (CID 144834767) is azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene.
What is the SMILES notation for azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene?
The canonical SMILES for azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene is C/N=C/C1CCCC(C2CC=CCC2)C1.C=CCC1=CCCC=C1.CC.N.
What is the InChIKey of azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene?
The InChIKey is GMOFMJWXSLVXKQ-AKHNGERGSA-N. The full InChI is InChI=1S/C14H23N.C9H12.C2H6.H3N/c1-15-11-12-6-5-9-14(10-12)13-7-3-2-4-8-13;1-2-6-9-7-4-3-5-8-9;1-2;/h2-3,11-14H,4-10H2,1H3;2,4,7-8H,1,3,5-6H2;1-2H3;1H3/b15-11+;;;.
What are the key properties of azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene?
azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene has a molecular weight of 372.64 g/mol, XLogP of 7.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(3-cyclohex-3-en-1-ylcyclohexyl)-N-methylmethanimine;ethane;2-prop-2-enylcyclohexa-1,3-diene is sourced from PubChem (CID 144834767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).