3,4-dimethylpent-3-en-2-amine

C7H15N — CID 123230353

IUPAC3,4-dimethylpent-3-en-2-amine
SMILESCC(C)=C(C)C(C)N
InChIInChI=1S/C7H15N/c1-5(2)6(3)7(4)8/h7H,8H2,1-4H3
InChIKeyMSNATYRTZRQRDW-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.69
Rot. Bonds1

About 3,4-dimethylpent-3-en-2-amine

3,4-dimethylpent-3-en-2-amine (PubChem CID 123230353) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 3,4-dimethylpent-3-en-2-amine.

Molecular Properties

Compound Name3,4-dimethylpent-3-en-2-amine
PubChem CID123230353
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name3,4-dimethylpent-3-en-2-amine
SMILESCC(C)=C(C)C(C)N
InChIInChI=1S/C7H15N/c1-5(2)6(3)7(4)8/h7H,8H2,1-4H3
InChIKeyMSNATYRTZRQRDW-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-3-en-2-amine?
The IUPAC name of 3,4-dimethylpent-3-en-2-amine (CID 123230353) is 3,4-dimethylpent-3-en-2-amine.
What is the SMILES notation for 3,4-dimethylpent-3-en-2-amine?
The canonical SMILES for 3,4-dimethylpent-3-en-2-amine is CC(C)=C(C)C(C)N.
What is the InChIKey of 3,4-dimethylpent-3-en-2-amine?
The InChIKey is MSNATYRTZRQRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-5(2)6(3)7(4)8/h7H,8H2,1-4H3.
What are the key properties of 3,4-dimethylpent-3-en-2-amine?
3,4-dimethylpent-3-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-3-en-2-amine is sourced from PubChem (CID 123230353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).