N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine

C13H24N2 — CID 143431665

IUPACN'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C/C(=C\C(=C)N(C)CCN(C)C)CC
InChIInChI=1S/C13H24N2/c1-7-13(8-2)11-12(3)15(6)10-9-14(4)5/h7,11H,1,3,8-10H2,2,4-6H3/b13-11+
InChIKeyWXZKXDWTDZZHGK-ACCUITESSA-N
MW208.35 g/mol
LogP2.52
Rot. Bonds7

About N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 143431665) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID143431665
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C/C(=C\C(=C)N(C)CCN(C)C)CC
InChIInChI=1S/C13H24N2/c1-7-13(8-2)11-12(3)15(6)10-9-14(4)5/h7,11H,1,3,8-10H2,2,4-6H3/b13-11+
InChIKeyWXZKXDWTDZZHGK-ACCUITESSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.52
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'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 143431665) is N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine is C=C/C(=C\C(=C)N(C)CCN(C)C)CC.
What is the InChIKey of N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is WXZKXDWTDZZHGK-ACCUITESSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-13(8-2)11-12(3)15(6)10-9-14(4)5/h7,11H,1,3,8-10H2,2,4-6H3/b13-11+.
What are the key properties of N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-4-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 143431665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).