1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine

C11H24N2 — CID 79179531

IUPAC1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine
SMILESC=C(C)C(CCN(CC)CC)NC
InChIInChI=1S/C11H24N2/c1-6-13(7-2)9-8-11(12-5)10(3)4/h11-12H,3,6-9H2,1-2,4-5H3
InChIKeyXRSCOSZMJUTXHK-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.88
Rot. Bonds7

About 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine

1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine (PubChem CID 79179531) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine
PubChem CID79179531
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine
SMILESC=C(C)C(CCN(CC)CC)NC
InChIInChI=1S/C11H24N2/c1-6-13(7-2)9-8-11(12-5)10(3)4/h11-12H,3,6-9H2,1-2,4-5H3
InChIKeyXRSCOSZMJUTXHK-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-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 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine (CID 79179531) is 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine is C=C(C)C(CCN(CC)CC)NC.
What is the InChIKey of 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine?
The InChIKey is XRSCOSZMJUTXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-6-13(7-2)9-8-11(12-5)10(3)4/h11-12H,3,6-9H2,1-2,4-5H3.
What are the key properties of 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine?
1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-3-N,4-dimethylpent-4-ene-1,3-diamine is sourced from PubChem (CID 79179531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).