(1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine

C9H13N — CID 89105784

IUPAC(1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C=C)\C=C/NC
InChIInChI=1S/C9H13N/c1-4-6-9(5-2)7-8-10-3/h4-8,10H,1-2H2,3H3/b8-7-,9-6-
InChIKeyUYTBHJSSCCEJIE-QOCNPQIPSA-N
MW135.21 g/mol
LogP2.02
Rot. Bonds4

About (1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine (PubChem CID 89105784) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine
PubChem CID89105784
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C=C)\C=C/NC
InChIInChI=1S/C9H13N/c1-4-6-9(5-2)7-8-10-3/h4-8,10H,1-2H2,3H3/b8-7-,9-6-
InChIKeyUYTBHJSSCCEJIE-QOCNPQIPSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.02
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 (1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine (CID 89105784) is (1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine is C=C/C=C(C=C)\C=C/NC.
What is the InChIKey of (1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine?
The InChIKey is UYTBHJSSCCEJIE-QOCNPQIPSA-N. The full InChI is InChI=1S/C9H13N/c1-4-6-9(5-2)7-8-10-3/h4-8,10H,1-2H2,3H3/b8-7-,9-6-.
What are the key properties of (1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-ethenyl-N-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89105784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).