(2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine

C10H21N3 — CID 134406145

IUPAC(2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine
SMILESCCNCCNC/C=C/C=C(/C)N
InChIInChI=1S/C10H21N3/c1-3-12-8-9-13-7-5-4-6-10(2)11/h4-6,12-13H,3,7-9,11H2,1-2H3/b5-4+,10-6-
InChIKeyRWPXHLPEMXSASI-IGTFLHFFSA-N
MW183.30 g/mol
LogP0.60
Rot. Bonds7

About (2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine

(2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine (PubChem CID 134406145) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is (2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine.

Molecular Properties

Compound Name(2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine
PubChem CID134406145
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name(2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine
SMILESCCNCCNC/C=C/C=C(/C)N
InChIInChI=1S/C10H21N3/c1-3-12-8-9-13-7-5-4-6-10(2)11/h4-6,12-13H,3,7-9,11H2,1-2H3/b5-4+,10-6-
InChIKeyRWPXHLPEMXSASI-IGTFLHFFSA-N
XLogP0.60
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine?
The IUPAC name of (2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine (CID 134406145) is (2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine.
What is the SMILES notation for (2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine?
The canonical SMILES for (2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine is CCNCCNC/C=C/C=C(/C)N.
What is the InChIKey of (2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine?
The InChIKey is RWPXHLPEMXSASI-IGTFLHFFSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-12-8-9-13-7-5-4-6-10(2)11/h4-6,12-13H,3,7-9,11H2,1-2H3/b5-4+,10-6-.
What are the key properties of (2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine?
(2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine has a molecular weight of 183.30 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine is sourced from PubChem (CID 134406145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).