(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine

C11H19N — CID 134400841

IUPAC(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine
SMILESC=C/C=C(\C=C)CCC(C)CN
InChIInChI=1S/C11H19N/c1-4-6-11(5-2)8-7-10(3)9-12/h4-6,10H,1-2,7-9,12H2,3H3/b11-6+
InChIKeyPGTMIPOFMRHNST-IZZDOVSWSA-N
MW165.28 g/mol
LogP2.66
Rot. Bonds6

About (5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine

(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine (PubChem CID 134400841) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine
PubChem CID134400841
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine
SMILESC=C/C=C(\C=C)CCC(C)CN
InChIInChI=1S/C11H19N/c1-4-6-11(5-2)8-7-10(3)9-12/h4-6,10H,1-2,7-9,12H2,3H3/b11-6+
InChIKeyPGTMIPOFMRHNST-IZZDOVSWSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine?
The IUPAC name of (5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine (CID 134400841) is (5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine.
What is the SMILES notation for (5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine?
The canonical SMILES for (5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine is C=C/C=C(\C=C)CCC(C)CN.
What is the InChIKey of (5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine?
The InChIKey is PGTMIPOFMRHNST-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H19N/c1-4-6-11(5-2)8-7-10(3)9-12/h4-6,10H,1-2,7-9,12H2,3H3/b11-6+.
What are the key properties of (5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine?
(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine is sourced from PubChem (CID 134400841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).