(2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine

C12H24N2 — CID 167486388

IUPAC(2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine
SMILESCC/C=C\C=C(\CN(C)CC)N(C)C
InChIInChI=1S/C12H24N2/c1-6-8-9-10-12(13(3)4)11-14(5)7-2/h8-10H,6-7,11H2,1-5H3/b9-8-,12-10-
InChIKeyMZQDUOCBIZHWGG-DMGFJBLZSA-N
MW196.34 g/mol
LogP2.35
Rot. Bonds6

About (2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine

(2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine (PubChem CID 167486388) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name(2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine
PubChem CID167486388
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine
SMILESCC/C=C\C=C(\CN(C)CC)N(C)C
InChIInChI=1S/C12H24N2/c1-6-8-9-10-12(13(3)4)11-14(5)7-2/h8-10H,6-7,11H2,1-5H3/b9-8-,12-10-
InChIKeyMZQDUOCBIZHWGG-DMGFJBLZSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.35
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 (2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine?
The IUPAC name of (2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine (CID 167486388) is (2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine.
What is the SMILES notation for (2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine?
The canonical SMILES for (2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine is CC/C=C\C=C(\CN(C)CC)N(C)C.
What is the InChIKey of (2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine?
The InChIKey is MZQDUOCBIZHWGG-DMGFJBLZSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-8-9-10-12(13(3)4)11-14(5)7-2/h8-10H,6-7,11H2,1-5H3/b9-8-,12-10-.
What are the key properties of (2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine?
(2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-N-ethyl-1-N,2-N,2-N-trimethylhepta-2,4-diene-1,2-diamine is sourced from PubChem (CID 167486388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).