(1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine

C13H23N — CID 142898519

IUPAC(1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine
SMILESC=CCN/C=C(\C/C=C\C)C(C)CC
InChIInChI=1S/C13H23N/c1-5-8-9-13(12(4)7-3)11-14-10-6-2/h5-6,8,11-12,14H,2,7,9-10H2,1,3-4H3/b8-5-,13-11+
InChIKeyZLQNXHYSWPNCID-JXSKNCHLSA-N
MW193.33 g/mol
LogP3.66
Rot. Bonds7

About (1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine

(1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine (PubChem CID 142898519) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine.

Molecular Properties

Compound Name(1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine
PubChem CID142898519
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine
SMILESC=CCN/C=C(\C/C=C\C)C(C)CC
InChIInChI=1S/C13H23N/c1-5-8-9-13(12(4)7-3)11-14-10-6-2/h5-6,8,11-12,14H,2,7,9-10H2,1,3-4H3/b8-5-,13-11+
InChIKeyZLQNXHYSWPNCID-JXSKNCHLSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine?
The IUPAC name of (1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine (CID 142898519) is (1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine.
What is the SMILES notation for (1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine?
The canonical SMILES for (1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine is C=CCN/C=C(\C/C=C\C)C(C)CC.
What is the InChIKey of (1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine?
The InChIKey is ZLQNXHYSWPNCID-JXSKNCHLSA-N. The full InChI is InChI=1S/C13H23N/c1-5-8-9-13(12(4)7-3)11-14-10-6-2/h5-6,8,11-12,14H,2,7,9-10H2,1,3-4H3/b8-5-,13-11+.
What are the key properties of (1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine?
(1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-2-butan-2-yl-N-prop-2-enylhexa-1,4-dien-1-amine is sourced from PubChem (CID 142898519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).