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

C13H26N2 — CID 138570581

IUPACN'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC/C=C(\C=C(\C)N(C)CCN(C)C)CC
InChIInChI=1S/C13H26N2/c1-7-13(8-2)11-12(3)15(6)10-9-14(4)5/h7,11H,8-10H2,1-6H3/b12-11-,13-7-
InChIKeyGIOKHEDHSRFXKM-CNNFEOFRSA-N
MW210.36 g/mol
LogP2.74
Rot. Bonds6

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

N'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 138570581) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID138570581
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC/C=C(\C=C(\C)N(C)CCN(C)C)CC
InChIInChI=1S/C13H26N2/c1-7-13(8-2)11-12(3)15(6)10-9-14(4)5/h7,11H,8-10H2,1-6H3/b12-11-,13-7-
InChIKeyGIOKHEDHSRFXKM-CNNFEOFRSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 138570581) is N'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2Z,4Z)-4-ethylhexa-2,4-dien-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'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is GIOKHEDHSRFXKM-CNNFEOFRSA-N. The full InChI is InChI=1S/C13H26N2/c1-7-13(8-2)11-12(3)15(6)10-9-14(4)5/h7,11H,8-10H2,1-6H3/b12-11-,13-7-.
What are the key properties of N'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 138570581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).