(Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine

C9H20N2 — CID 87430189

IUPAC(Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine
SMILESCC/C(=C/N(C)C)N(C)CC
InChIInChI=1S/C9H20N2/c1-6-9(8-10(3)4)11(5)7-2/h8H,6-7H2,1-5H3/b9-8-
InChIKeyXWLVMPUTKJCMEL-HJWRWDBZSA-N
MW156.27 g/mol
LogP1.75
Rot. Bonds4

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

(Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine (PubChem CID 87430189) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine
PubChem CID87430189
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine
SMILESCC/C(=C/N(C)C)N(C)CC
InChIInChI=1S/C9H20N2/c1-6-9(8-10(3)4)11(5)7-2/h8H,6-7H2,1-5H3/b9-8-
InChIKeyXWLVMPUTKJCMEL-HJWRWDBZSA-N
XLogP1.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine (CID 87430189) is (Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine is CC/C(=C/N(C)C)N(C)CC.
What is the InChIKey of (Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine?
The InChIKey is XWLVMPUTKJCMEL-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H20N2/c1-6-9(8-10(3)4)11(5)7-2/h8H,6-7H2,1-5H3/b9-8-.
What are the key properties of (Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine?
(Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine is sourced from PubChem (CID 87430189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).