2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine

C8H15N3 — CID 88905577

IUPAC2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine
SMILESC=C(C)C(=C)N(C)C=C(N)N
InChIInChI=1S/C8H15N3/c1-6(2)7(3)11(4)5-8(9)10/h5H,1,3,9-10H2,2,4H3
InChIKeyROGQINQGVICAEG-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.72
Rot. Bonds3

About 2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine

2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine (PubChem CID 88905577) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine
PubChem CID88905577
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine
SMILESC=C(C)C(=C)N(C)C=C(N)N
InChIInChI=1S/C8H15N3/c1-6(2)7(3)11(4)5-8(9)10/h5H,1,3,9-10H2,2,4H3
InChIKeyROGQINQGVICAEG-UHFFFAOYSA-N
XLogP0.72
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine?
The IUPAC name of 2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine (CID 88905577) is 2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine.
What is the SMILES notation for 2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine?
The canonical SMILES for 2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine is C=C(C)C(=C)N(C)C=C(N)N.
What is the InChIKey of 2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine?
The InChIKey is ROGQINQGVICAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)7(3)11(4)5-8(9)10/h5H,1,3,9-10H2,2,4H3.
What are the key properties of 2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine?
2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine has a molecular weight of 153.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine is sourced from PubChem (CID 88905577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).