(1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine

C17H27N3 — CID 89331539

IUPAC(1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)C(/C(=C)C)=C(/NN)C1CCCCC1
InChIInChI=1S/C17H27N3/c1-4-8-14(11-12-18)16(13(2)3)17(20-19)15-9-6-5-7-10-15/h4,8,11-12,15,20H,1-2,5-7,9-10,18-19H2,3H3/b12-11-,14-8+,17-16+
InChIKeyPSACGTADXUQTNI-KVVJCVRCSA-N
MW273.42 g/mol
LogP3.44
Rot. Bonds6

About (1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine

(1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine (PubChem CID 89331539) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
PubChem CID89331539
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)C(/C(=C)C)=C(/NN)C1CCCCC1
InChIInChI=1S/C17H27N3/c1-4-8-14(11-12-18)16(13(2)3)17(20-19)15-9-6-5-7-10-15/h4,8,11-12,15,20H,1-2,5-7,9-10,18-19H2,3H3/b12-11-,14-8+,17-16+
InChIKeyPSACGTADXUQTNI-KVVJCVRCSA-N
XLogP3.44
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine (CID 89331539) is (1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)C(/C(=C)C)=C(/NN)C1CCCCC1.
What is the InChIKey of (1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
The InChIKey is PSACGTADXUQTNI-KVVJCVRCSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-8-14(11-12-18)16(13(2)3)17(20-19)15-9-6-5-7-10-15/h4,8,11-12,15,20H,1-2,5-7,9-10,18-19H2,3H3/b12-11-,14-8+,17-16+.
What are the key properties of (1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
(1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[(1E)-1-cyclohexyl-1-hydrazinyl-3-methylbuta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89331539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).