(E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine

C9H20N2 — CID 118438577

IUPAC(E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine
SMILESCC/C(=C(/C)CN)N(C)CC
InChIInChI=1S/C9H20N2/c1-5-9(8(3)7-10)11(4)6-2/h5-7,10H2,1-4H3/b9-8+
InChIKeyFRUBIZJSICIZCY-CMDGGOBGSA-N
MW156.27 g/mol
LogP1.58
Rot. Bonds4

About (E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine

(E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine (PubChem CID 118438577) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine
PubChem CID118438577
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine
SMILESCC/C(=C(/C)CN)N(C)CC
InChIInChI=1S/C9H20N2/c1-5-9(8(3)7-10)11(4)6-2/h5-7,10H2,1-4H3/b9-8+
InChIKeyFRUBIZJSICIZCY-CMDGGOBGSA-N
XLogP1.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine?
The IUPAC name of (E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine (CID 118438577) is (E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine.
What is the SMILES notation for (E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine?
The canonical SMILES for (E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine is CC/C(=C(/C)CN)N(C)CC.
What is the InChIKey of (E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine?
The InChIKey is FRUBIZJSICIZCY-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-9(8(3)7-10)11(4)6-2/h5-7,10H2,1-4H3/b9-8+.
What are the key properties of (E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine?
(E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-ethyl-3-N,2-dimethylpent-2-ene-1,3-diamine is sourced from PubChem (CID 118438577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).