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

C13H26N2 — CID 88944990

IUPACN-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine
SMILESCC/C=C\C=C(/C)N(C)CCN(C)CC
InChIInChI=1S/C13H26N2/c1-6-8-9-10-13(3)15(5)12-11-14(4)7-2/h8-10H,6-7,11-12H2,1-5H3/b9-8-,13-10+
InChIKeyWBMXLAMIBRDGKG-JQHRQWORSA-N
MW210.36 g/mol
LogP2.74
Rot. Bonds7

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

N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 88944990) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID88944990
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine
SMILESCC/C=C\C=C(/C)N(C)CCN(C)CC
InChIInChI=1S/C13H26N2/c1-6-8-9-10-13(3)15(5)12-11-14(4)7-2/h8-10H,6-7,11-12H2,1-5H3/b9-8-,13-10+
InChIKeyWBMXLAMIBRDGKG-JQHRQWORSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine (CID 88944990) is N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine is CC/C=C\C=C(/C)N(C)CCN(C)CC.
What is the InChIKey of N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is WBMXLAMIBRDGKG-JQHRQWORSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-8-9-10-13(3)15(5)12-11-14(4)7-2/h8-10H,6-7,11-12H2,1-5H3/b9-8-,13-10+.
What are the key properties of N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine?
N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 88944990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).