(1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine

C11H19N — CID 143332145

IUPAC(1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine
SMILESC=C(C)N(C)/C=C\C=C(/C)CC
InChIInChI=1S/C11H19N/c1-6-11(4)8-7-9-12(5)10(2)3/h7-9H,2,6H2,1,3-5H3/b9-7-,11-8+
InChIKeyVNMNUCDMXUMXCU-BYSFRFKNSA-N
MW165.28 g/mol
LogP3.32
Rot. Bonds4

About (1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine

(1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine (PubChem CID 143332145) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine
PubChem CID143332145
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine
SMILESC=C(C)N(C)/C=C\C=C(/C)CC
InChIInChI=1S/C11H19N/c1-6-11(4)8-7-9-12(5)10(2)3/h7-9H,2,6H2,1,3-5H3/b9-7-,11-8+
InChIKeyVNMNUCDMXUMXCU-BYSFRFKNSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
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,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine (CID 143332145) is (1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine is C=C(C)N(C)/C=C\C=C(/C)CC.
What is the InChIKey of (1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine?
The InChIKey is VNMNUCDMXUMXCU-BYSFRFKNSA-N. The full InChI is InChI=1S/C11H19N/c1-6-11(4)8-7-9-12(5)10(2)3/h7-9H,2,6H2,1,3-5H3/b9-7-,11-8+.
What are the key properties of (1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine?
(1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine is sourced from PubChem (CID 143332145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).