4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine

C12H24N2 — CID 79111304

IUPAC4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESC=CCCN(C)C1CCC(NC)CC1
InChIInChI=1S/C12H24N2/c1-4-5-10-14(3)12-8-6-11(13-2)7-9-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeyDFDNXSCZGKXHKN-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.02
Rot. Bonds5

About 4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79111304) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79111304
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESC=CCCN(C)C1CCC(NC)CC1
InChIInChI=1S/C12H24N2/c1-4-5-10-14(3)12-8-6-11(13-2)7-9-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeyDFDNXSCZGKXHKN-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79111304) is 4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine is C=CCCN(C)C1CCC(NC)CC1.
What is the InChIKey of 4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is DFDNXSCZGKXHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-5-10-14(3)12-8-6-11(13-2)7-9-12/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).