(3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine

C11H18N2 — CID 88998046

IUPAC(3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine
SMILESC=CNC(C)/C(N)=C/C=C(/C)C=C
InChIInChI=1S/C11H18N2/c1-5-9(3)7-8-11(12)10(4)13-6-2/h5-8,10,13H,1-2,12H2,3-4H3/b9-7-,11-8-
InChIKeyBKHNBRKIELMSOF-JLUCNAMBSA-N
MW178.28 g/mol
LogP2.08
Rot. Bonds5

About (3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine

(3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine (PubChem CID 88998046) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine.

Molecular Properties

Compound Name(3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine
PubChem CID88998046
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine
SMILESC=CNC(C)/C(N)=C/C=C(/C)C=C
InChIInChI=1S/C11H18N2/c1-5-9(3)7-8-11(12)10(4)13-6-2/h5-8,10,13H,1-2,12H2,3-4H3/b9-7-,11-8-
InChIKeyBKHNBRKIELMSOF-JLUCNAMBSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine?
The IUPAC name of (3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine (CID 88998046) is (3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine.
What is the SMILES notation for (3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine?
The canonical SMILES for (3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine is C=CNC(C)/C(N)=C/C=C(/C)C=C.
What is the InChIKey of (3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine?
The InChIKey is BKHNBRKIELMSOF-JLUCNAMBSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-9(3)7-8-11(12)10(4)13-6-2/h5-8,10,13H,1-2,12H2,3-4H3/b9-7-,11-8-.
What are the key properties of (3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine?
(3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine is sourced from PubChem (CID 88998046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).