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

C7H16N2 — CID 87323071

IUPAC3,4-dimethylpent-3-ene-1,1-diamine
SMILESCC(C)=C(C)CC(N)N
InChIInChI=1S/C7H16N2/c1-5(2)6(3)4-7(8)9/h7H,4,8-9H2,1-3H3
InChIKeyWPXBNMLNOBDERK-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.98
Rot. Bonds2

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

3,4-dimethylpent-3-ene-1,1-diamine (PubChem CID 87323071) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3,4-dimethylpent-3-ene-1,1-diamine.

Molecular Properties

Compound Name3,4-dimethylpent-3-ene-1,1-diamine
PubChem CID87323071
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3,4-dimethylpent-3-ene-1,1-diamine
SMILESCC(C)=C(C)CC(N)N
InChIInChI=1S/C7H16N2/c1-5(2)6(3)4-7(8)9/h7H,4,8-9H2,1-3H3
InChIKeyWPXBNMLNOBDERK-UHFFFAOYSA-N
XLogP0.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-3-ene-1,1-diamine?
The IUPAC name of 3,4-dimethylpent-3-ene-1,1-diamine (CID 87323071) is 3,4-dimethylpent-3-ene-1,1-diamine.
What is the SMILES notation for 3,4-dimethylpent-3-ene-1,1-diamine?
The canonical SMILES for 3,4-dimethylpent-3-ene-1,1-diamine is CC(C)=C(C)CC(N)N.
What is the InChIKey of 3,4-dimethylpent-3-ene-1,1-diamine?
The InChIKey is WPXBNMLNOBDERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-5(2)6(3)4-7(8)9/h7H,4,8-9H2,1-3H3.
What are the key properties of 3,4-dimethylpent-3-ene-1,1-diamine?
3,4-dimethylpent-3-ene-1,1-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-3-ene-1,1-diamine is sourced from PubChem (CID 87323071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).