(E)-N,4-dimethylpent-2-en-3-amine

C7H15N — CID 22094907

IUPAC(E)-N,4-dimethylpent-2-en-3-amine
SMILESC/C=C(/NC)C(C)C
InChIInChI=1S/C7H15N/c1-5-7(8-4)6(2)3/h5-6,8H,1-4H3/b7-5+
InChIKeyNFHDMOVMXHEFPY-FNORWQNLSA-N
MW113.20 g/mol
LogP1.77
Rot. Bonds2

About (E)-N,4-dimethylpent-2-en-3-amine

(E)-N,4-dimethylpent-2-en-3-amine (PubChem CID 22094907) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (E)-N,4-dimethylpent-2-en-3-amine.

Molecular Properties

Compound Name(E)-N,4-dimethylpent-2-en-3-amine
PubChem CID22094907
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(E)-N,4-dimethylpent-2-en-3-amine
SMILESC/C=C(/NC)C(C)C
InChIInChI=1S/C7H15N/c1-5-7(8-4)6(2)3/h5-6,8H,1-4H3/b7-5+
InChIKeyNFHDMOVMXHEFPY-FNORWQNLSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-N,4-dimethylpent-2-en-3-amine 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 (E)-N,4-dimethylpent-2-en-3-amine?
The IUPAC name of (E)-N,4-dimethylpent-2-en-3-amine (CID 22094907) is (E)-N,4-dimethylpent-2-en-3-amine.
What is the SMILES notation for (E)-N,4-dimethylpent-2-en-3-amine?
The canonical SMILES for (E)-N,4-dimethylpent-2-en-3-amine is C/C=C(/NC)C(C)C.
What is the InChIKey of (E)-N,4-dimethylpent-2-en-3-amine?
The InChIKey is NFHDMOVMXHEFPY-FNORWQNLSA-N. The full InChI is InChI=1S/C7H15N/c1-5-7(8-4)6(2)3/h5-6,8H,1-4H3/b7-5+.
What are the key properties of (E)-N,4-dimethylpent-2-en-3-amine?
(E)-N,4-dimethylpent-2-en-3-amine has a molecular weight of 113.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4-dimethylpent-2-en-3-amine is sourced from PubChem (CID 22094907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).