(Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine

C7H16N2 — CID 146392665

IUPAC(Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine
SMILESCC/C(CNC)=C(\C)N
InChIInChI=1S/C7H16N2/c1-4-7(5-9-3)6(2)8/h9H,4-5,8H2,1-3H3/b7-6-
InChIKeyAWAVOPLKVSDLEH-SREVYHEPSA-N
MW128.22 g/mol
LogP0.85
Rot. Bonds3

About (Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine

(Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine (PubChem CID 146392665) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine
PubChem CID146392665
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine
SMILESCC/C(CNC)=C(\C)N
InChIInChI=1S/C7H16N2/c1-4-7(5-9-3)6(2)8/h9H,4-5,8H2,1-3H3/b7-6-
InChIKeyAWAVOPLKVSDLEH-SREVYHEPSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine?
The IUPAC name of (Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine (CID 146392665) is (Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine?
The canonical SMILES for (Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine is CC/C(CNC)=C(\C)N.
What is the InChIKey of (Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine?
The InChIKey is AWAVOPLKVSDLEH-SREVYHEPSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-7(5-9-3)6(2)8/h9H,4-5,8H2,1-3H3/b7-6-.
What are the key properties of (Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine?
(Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine is sourced from PubChem (CID 146392665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).