(E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine

C9H21N3 — CID 134406270

IUPAC(E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine
SMILESCC/C=C(\N)N(C)CCNCC
InChIInChI=1S/C9H21N3/c1-4-6-9(10)12(3)8-7-11-5-2/h6,11H,4-5,7-8,10H2,1-3H3/b9-6+
InChIKeyUWXPOHBRMFQJGI-RMKNXTFCSA-N
MW171.29 g/mol
LogP0.74
Rot. Bonds6

About (E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine

(E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine (PubChem CID 134406270) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine
PubChem CID134406270
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine
SMILESCC/C=C(\N)N(C)CCNCC
InChIInChI=1S/C9H21N3/c1-4-6-9(10)12(3)8-7-11-5-2/h6,11H,4-5,7-8,10H2,1-3H3/b9-6+
InChIKeyUWXPOHBRMFQJGI-RMKNXTFCSA-N
XLogP0.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine?
The IUPAC name of (E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine (CID 134406270) is (E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine.
What is the SMILES notation for (E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine?
The canonical SMILES for (E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine is CC/C=C(\N)N(C)CCNCC.
What is the InChIKey of (E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine?
The InChIKey is UWXPOHBRMFQJGI-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-6-9(10)12(3)8-7-11-5-2/h6,11H,4-5,7-8,10H2,1-3H3/b9-6+.
What are the key properties of (E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine?
(E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine has a molecular weight of 171.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylbut-1-ene-1,1-diamine is sourced from PubChem (CID 134406270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).