(1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine

C10H15N — CID 166956993

IUPAC(1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(/C=C\N)C(\C)=C/C
InChIInChI=1S/C10H15N/c1-4-6-10(7-8-11)9(3)5-2/h4-8H,1,11H2,2-3H3/b8-7-,9-5-,10-6-
InChIKeyWCTISHILZBINSJ-SWURFJLASA-N
MW149.24 g/mol
LogP2.54
Rot. Bonds3

About (1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine

(1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine (PubChem CID 166956993) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine
PubChem CID166956993
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(/C=C\N)C(\C)=C/C
InChIInChI=1S/C10H15N/c1-4-6-10(7-8-11)9(3)5-2/h4-8H,1,11H2,2-3H3/b8-7-,9-5-,10-6-
InChIKeyWCTISHILZBINSJ-SWURFJLASA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.54
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-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine (CID 166956993) is (1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine is C=C/C=C(/C=C\N)C(\C)=C/C.
What is the InChIKey of (1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine?
The InChIKey is WCTISHILZBINSJ-SWURFJLASA-N. The full InChI is InChI=1S/C10H15N/c1-4-6-10(7-8-11)9(3)5-2/h4-8H,1,11H2,2-3H3/b8-7-,9-5-,10-6-.
What are the key properties of (1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine?
(1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 166956993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).