(5S)-5-methanimidoyl-6-methylhept-6-en-1-amine

C9H18N2 — CID 126592924

IUPAC(5S)-5-methanimidoyl-6-methylhept-6-en-1-amine
SMILES[H]/N=C/C(CCCCN)C(=C)C
InChIInChI=1S/C9H18N2/c1-8(2)9(7-11)5-3-4-6-10/h7,9,11H,1,3-6,10H2,2H3/b11-7+
InChIKeyUXFOFQQKMUYPKV-YRNVUSSQSA-N
MW154.26 g/mol
LogP1.96
Rot. Bonds6

About (5S)-5-methanimidoyl-6-methylhept-6-en-1-amine

(5S)-5-methanimidoyl-6-methylhept-6-en-1-amine (PubChem CID 126592924) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (5S)-5-methanimidoyl-6-methylhept-6-en-1-amine.

Molecular Properties

Compound Name(5S)-5-methanimidoyl-6-methylhept-6-en-1-amine
PubChem CID126592924
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(5S)-5-methanimidoyl-6-methylhept-6-en-1-amine
SMILES[H]/N=C/C(CCCCN)C(=C)C
InChIInChI=1S/C9H18N2/c1-8(2)9(7-11)5-3-4-6-10/h7,9,11H,1,3-6,10H2,2H3/b11-7+
InChIKeyUXFOFQQKMUYPKV-YRNVUSSQSA-N
XLogP1.96
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methanimidoyl-6-methylhept-6-en-1-amine?
The IUPAC name of (5S)-5-methanimidoyl-6-methylhept-6-en-1-amine (CID 126592924) is (5S)-5-methanimidoyl-6-methylhept-6-en-1-amine.
What is the SMILES notation for (5S)-5-methanimidoyl-6-methylhept-6-en-1-amine?
The canonical SMILES for (5S)-5-methanimidoyl-6-methylhept-6-en-1-amine is [H]/N=C/C(CCCCN)C(=C)C.
What is the InChIKey of (5S)-5-methanimidoyl-6-methylhept-6-en-1-amine?
The InChIKey is UXFOFQQKMUYPKV-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)9(7-11)5-3-4-6-10/h7,9,11H,1,3-6,10H2,2H3/b11-7+.
What are the key properties of (5S)-5-methanimidoyl-6-methylhept-6-en-1-amine?
(5S)-5-methanimidoyl-6-methylhept-6-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methanimidoyl-6-methylhept-6-en-1-amine is sourced from PubChem (CID 126592924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).