N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine

C12H24N2 — CID 43180683

IUPACN-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCC1CC=CCC1
InChIInChI=1S/C12H24N2/c1-14(2)10-6-9-13-11-12-7-4-3-5-8-12/h3-4,12-13H,5-11H2,1-2H3
InChIKeyHPWQQSUBDGLJEG-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine

N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 43180683) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID43180683
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCC1CC=CCC1
InChIInChI=1S/C12H24N2/c1-14(2)10-6-9-13-11-12-7-4-3-5-8-12/h3-4,12-13H,5-11H2,1-2H3
InChIKeyHPWQQSUBDGLJEG-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine 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 N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine (CID 43180683) is N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is HPWQQSUBDGLJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-14(2)10-6-9-13-11-12-7-4-3-5-8-12/h3-4,12-13H,5-11H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 43180683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).