(E)-6-methylhept-3-en-2-amine

C8H17N — CID 10486865

IUPAC(E)-6-methylhept-3-en-2-amine
SMILESCC(N)/C=C/CC(C)C
InChIInChI=1S/C8H17N/c1-7(2)5-4-6-8(3)9/h4,6-8H,5,9H2,1-3H3/b6-4+
InChIKeyWKZBDHYFHYPTNK-GQCTYLIASA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds3

About (E)-6-methylhept-3-en-2-amine

(E)-6-methylhept-3-en-2-amine (PubChem CID 10486865) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-6-methylhept-3-en-2-amine.

Molecular Properties

Compound Name(E)-6-methylhept-3-en-2-amine
PubChem CID10486865
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-6-methylhept-3-en-2-amine
SMILESCC(N)/C=C/CC(C)C
InChIInChI=1S/C8H17N/c1-7(2)5-4-6-8(3)9/h4,6-8H,5,9H2,1-3H3/b6-4+
InChIKeyWKZBDHYFHYPTNK-GQCTYLIASA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.94
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)-6-methylhept-3-en-2-amine?
The IUPAC name of (E)-6-methylhept-3-en-2-amine (CID 10486865) is (E)-6-methylhept-3-en-2-amine.
What is the SMILES notation for (E)-6-methylhept-3-en-2-amine?
The canonical SMILES for (E)-6-methylhept-3-en-2-amine is CC(N)/C=C/CC(C)C.
What is the InChIKey of (E)-6-methylhept-3-en-2-amine?
The InChIKey is WKZBDHYFHYPTNK-GQCTYLIASA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)5-4-6-8(3)9/h4,6-8H,5,9H2,1-3H3/b6-4+.
What are the key properties of (E)-6-methylhept-3-en-2-amine?
(E)-6-methylhept-3-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methylhept-3-en-2-amine is sourced from PubChem (CID 10486865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).