(2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine

C12H17N — CID 146687840

IUPAC(2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine
SMILESC=C/C=C\C=C\NC/C=C\C=C/C
InChIInChI=1S/C12H17N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-11,13H,1,12H2,2H3/b6-4-,7-5-,10-8-,11-9+
InChIKeyPWWWJGKTJZWGQT-OVIRUMTGSA-N
MW175.27 g/mol
LogP2.96
Rot. Bonds6

About (2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine

(2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine (PubChem CID 146687840) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine
PubChem CID146687840
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine
SMILESC=C/C=C\C=C\NC/C=C\C=C/C
InChIInChI=1S/C12H17N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-11,13H,1,12H2,2H3/b6-4-,7-5-,10-8-,11-9+
InChIKeyPWWWJGKTJZWGQT-OVIRUMTGSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine (CID 146687840) is (2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine is C=C/C=C\C=C\NC/C=C\C=C/C.
What is the InChIKey of (2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine?
The InChIKey is PWWWJGKTJZWGQT-OVIRUMTGSA-N. The full InChI is InChI=1S/C12H17N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-11,13H,1,12H2,2H3/b6-4-,7-5-,10-8-,11-9+.
What are the key properties of (2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine?
(2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 146687840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).