(3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine

C9H15N — CID 118186756

IUPAC(3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine
SMILESC=C/C=C(/C=C)C(C)NC
InChIInChI=1S/C9H15N/c1-5-7-9(6-2)8(3)10-4/h5-8,10H,1-2H2,3-4H3/b9-7-
InChIKeyJQCXQPUTZQTSNC-CLFYSBASSA-N
MW137.23 g/mol
LogP1.89
Rot. Bonds4

About (3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine

(3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine (PubChem CID 118186756) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine
PubChem CID118186756
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine
SMILESC=C/C=C(/C=C)C(C)NC
InChIInChI=1S/C9H15N/c1-5-7-9(6-2)8(3)10-4/h5-8,10H,1-2H2,3-4H3/b9-7-
InChIKeyJQCXQPUTZQTSNC-CLFYSBASSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.89
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 (3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine (CID 118186756) is (3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine is C=C/C=C(/C=C)C(C)NC.
What is the InChIKey of (3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine?
The InChIKey is JQCXQPUTZQTSNC-CLFYSBASSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(6-2)8(3)10-4/h5-8,10H,1-2H2,3-4H3/b9-7-.
What are the key properties of (3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine?
(3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine has a molecular weight of 137.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-N-methylhexa-3,5-dien-2-amine is sourced from PubChem (CID 118186756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).