1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine

C19H39N3 — CID 166667604

IUPAC1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine
SMILESC=C(N(C)CCN(C)C(=C)C(C)(C)C)N(C)CCC(C)(C)C
InChIInChI=1S/C19H39N3/c1-16(19(6,7)8)20(9)14-15-22(11)17(2)21(10)13-12-18(3,4)5/h1-2,12-15H2,3-11H3
InChIKeyCHBLRPYKXLVRBZ-UHFFFAOYSA-N
MW309.54 g/mol
LogP4.25
Rot. Bonds8

About 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine

1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine (PubChem CID 166667604) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine
PubChem CID166667604
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Name1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine
SMILESC=C(N(C)CCN(C)C(=C)C(C)(C)C)N(C)CCC(C)(C)C
InChIInChI=1S/C19H39N3/c1-16(19(6,7)8)20(9)14-15-22(11)17(2)21(10)13-12-18(3,4)5/h1-2,12-15H2,3-11H3
InChIKeyCHBLRPYKXLVRBZ-UHFFFAOYSA-N
XLogP4.25
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine
CID 146366340
1-N'-[2-(3,3-dimethylbut-1-en-2-ylamino)ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine
CID 155426562
(E)-1-N'-(4,4-dimethylpent-1-en-2-yl)-1-N,1-N,1-N',4,4-pentamethylpent-1-ene-1,1-diamine
CID 170085633

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine?
The IUPAC name of 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine (CID 166667604) is 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine.
What is the SMILES notation for 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine?
The canonical SMILES for 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine is C=C(N(C)CCN(C)C(=C)C(C)(C)C)N(C)CCC(C)(C)C.
What is the InChIKey of 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine?
The InChIKey is CHBLRPYKXLVRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3/c1-16(19(6,7)8)20(9)14-15-22(11)17(2)21(10)13-12-18(3,4)5/h1-2,12-15H2,3-11H3.
What are the key properties of 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine?
1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine has a molecular weight of 309.54 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine is sourced from PubChem (CID 166667604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).