(E)-4-methylhex-4-en-2-amine

C7H15N — CID 55254133

IUPAC(E)-4-methylhex-4-en-2-amine
SMILESC/C=C(\C)CC(C)N
InChIInChI=1S/C7H15N/c1-4-6(2)5-7(3)8/h4,7H,5,8H2,1-3H3/b6-4+
InChIKeyDYCGDPBVRLZWFT-GQCTYLIASA-N
MW113.20 g/mol
LogP1.69
Rot. Bonds2

About (E)-4-methylhex-4-en-2-amine

(E)-4-methylhex-4-en-2-amine (PubChem CID 55254133) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (E)-4-methylhex-4-en-2-amine.

Molecular Properties

Compound Name(E)-4-methylhex-4-en-2-amine
PubChem CID55254133
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(E)-4-methylhex-4-en-2-amine
SMILESC/C=C(\C)CC(C)N
InChIInChI=1S/C7H15N/c1-4-6(2)5-7(3)8/h4,7H,5,8H2,1-3H3/b6-4+
InChIKeyDYCGDPBVRLZWFT-GQCTYLIASA-N
XLogP1.69
TPSA26.02 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 ≤ 51.69
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 (E)-4-methylhex-4-en-2-amine?
The IUPAC name of (E)-4-methylhex-4-en-2-amine (CID 55254133) is (E)-4-methylhex-4-en-2-amine.
What is the SMILES notation for (E)-4-methylhex-4-en-2-amine?
The canonical SMILES for (E)-4-methylhex-4-en-2-amine is C/C=C(\C)CC(C)N.
What is the InChIKey of (E)-4-methylhex-4-en-2-amine?
The InChIKey is DYCGDPBVRLZWFT-GQCTYLIASA-N. The full InChI is InChI=1S/C7H15N/c1-4-6(2)5-7(3)8/h4,7H,5,8H2,1-3H3/b6-4+.
What are the key properties of (E)-4-methylhex-4-en-2-amine?
(E)-4-methylhex-4-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylhex-4-en-2-amine is sourced from PubChem (CID 55254133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).