(E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine

C9H20N2 — CID 12546533

IUPAC(E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine
SMILESC/C(=C\CN(C)C)CN(C)C
InChIInChI=1S/C9H20N2/c1-9(8-11(4)5)6-7-10(2)3/h6H,7-8H2,1-5H3/b9-6+
InChIKeyUUQPYCFZHDDSJZ-RMKNXTFCSA-N
MW156.27 g/mol
LogP1.06
Rot. Bonds4

About (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine

(E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine (PubChem CID 12546533) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine
PubChem CID12546533
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine
SMILESC/C(=C\CN(C)C)CN(C)C
InChIInChI=1S/C9H20N2/c1-9(8-11(4)5)6-7-10(2)3/h6H,7-8H2,1-5H3/b9-6+
InChIKeyUUQPYCFZHDDSJZ-RMKNXTFCSA-N
XLogP1.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-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 (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine (CID 12546533) is (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine is C/C(=C\CN(C)C)CN(C)C.
What is the InChIKey of (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine?
The InChIKey is UUQPYCFZHDDSJZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(8-11(4)5)6-7-10(2)3/h6H,7-8H2,1-5H3/b9-6+.
What are the key properties of (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine?
(E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine is sourced from PubChem (CID 12546533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).