(Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine

C13H26N2 — CID 88867652

IUPAC(Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine
SMILESC=C(N(/C=C(\N)CC)CC)C(C)(C)CC
InChIInChI=1S/C13H26N2/c1-7-12(14)10-15(9-3)11(4)13(5,6)8-2/h10H,4,7-9,14H2,1-3,5-6H3/b12-10-
InChIKeyHCUMTPJMIFXPJI-BENRWUELSA-N
MW210.36 g/mol
LogP3.47
Rot. Bonds6

About (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine

(Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine (PubChem CID 88867652) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine
PubChem CID88867652
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine
SMILESC=C(N(/C=C(\N)CC)CC)C(C)(C)CC
InChIInChI=1S/C13H26N2/c1-7-12(14)10-15(9-3)11(4)13(5,6)8-2/h10H,4,7-9,14H2,1-3,5-6H3/b12-10-
InChIKeyHCUMTPJMIFXPJI-BENRWUELSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-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 (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine (CID 88867652) is (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine is C=C(N(/C=C(\N)CC)CC)C(C)(C)CC.
What is the InChIKey of (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine?
The InChIKey is HCUMTPJMIFXPJI-BENRWUELSA-N. The full InChI is InChI=1S/C13H26N2/c1-7-12(14)10-15(9-3)11(4)13(5,6)8-2/h10H,4,7-9,14H2,1-3,5-6H3/b12-10-.
What are the key properties of (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine?
(Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(3,3-dimethylpent-1-en-2-yl)-1-N-ethylbut-1-ene-1,2-diamine is sourced from PubChem (CID 88867652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).