N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine

C10H20N2 — CID 89381346

IUPACN-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine
SMILESC/C=C\C=C(/C)NCCNCC
InChIInChI=1S/C10H20N2/c1-4-6-7-10(3)12-9-8-11-5-2/h4,6-7,11-12H,5,8-9H2,1-3H3/b6-4-,10-7+
InChIKeyMCKXUKZWGIFQOC-BSAFSDHNSA-N
MW168.28 g/mol
LogP1.67
Rot. Bonds6

About N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine

N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine (PubChem CID 89381346) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine
PubChem CID89381346
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine
SMILESC/C=C\C=C(/C)NCCNCC
InChIInChI=1S/C10H20N2/c1-4-6-7-10(3)12-9-8-11-5-2/h4,6-7,11-12H,5,8-9H2,1-3H3/b6-4-,10-7+
InChIKeyMCKXUKZWGIFQOC-BSAFSDHNSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine (CID 89381346) is N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine is C/C=C\C=C(/C)NCCNCC.
What is the InChIKey of N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine?
The InChIKey is MCKXUKZWGIFQOC-BSAFSDHNSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-6-7-10(3)12-9-8-11-5-2/h4,6-7,11-12H,5,8-9H2,1-3H3/b6-4-,10-7+.
What are the key properties of N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine?
N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(2E,4Z)-hexa-2,4-dien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 89381346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).