(2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine

C14H23N3 — CID 138711448

IUPAC(2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/C=C\NNC(N)/C=C(\C)C=C)CC
InChIInChI=1S/C14H23N3/c1-5-8-13(7-3)9-10-16-17-14(15)11-12(4)6-2/h5-6,8-11,14,16-17H,1-2,7,15H2,3-4H3/b10-9-,12-11+,13-8+
InChIKeyCSDQGKRASZPYBC-OPDSHJOHSA-N
MW233.36 g/mol
LogP2.53
Rot. Bonds8

About (2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine

(2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine (PubChem CID 138711448) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine
PubChem CID138711448
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/C=C\NNC(N)/C=C(\C)C=C)CC
InChIInChI=1S/C14H23N3/c1-5-8-13(7-3)9-10-16-17-14(15)11-12(4)6-2/h5-6,8-11,14,16-17H,1-2,7,15H2,3-4H3/b10-9-,12-11+,13-8+
InChIKeyCSDQGKRASZPYBC-OPDSHJOHSA-N
XLogP2.53
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 (2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine (CID 138711448) is (2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine is C=C/C=C(/C=C\NNC(N)/C=C(\C)C=C)CC.
What is the InChIKey of (2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine?
The InChIKey is CSDQGKRASZPYBC-OPDSHJOHSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-8-13(7-3)9-10-16-17-14(15)11-12(4)6-2/h5-6,8-11,14,16-17H,1-2,7,15H2,3-4H3/b10-9-,12-11+,13-8+.
What are the key properties of (2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine?
(2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[2-[(1Z,3E)-3-ethylhexa-1,3,5-trienyl]hydrazinyl]-3-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 138711448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).