1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine

C8H17N3 — CID 89354736

IUPAC1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine
SMILESC=C(NCC)NC1CCNC1
InChIInChI=1S/C8H17N3/c1-3-10-7(2)11-8-4-5-9-6-8/h8-11H,2-6H2,1H3
InChIKeyZIKCEHLRSIMLPH-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.02
Rot. Bonds4

About 1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine

1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine (PubChem CID 89354736) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine
PubChem CID89354736
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine
SMILESC=C(NCC)NC1CCNC1
InChIInChI=1S/C8H17N3/c1-3-10-7(2)11-8-4-5-9-6-8/h8-11H,2-6H2,1H3
InChIKeyZIKCEHLRSIMLPH-UHFFFAOYSA-N
XLogP0.02
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine?
The IUPAC name of 1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine (CID 89354736) is 1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine.
What is the SMILES notation for 1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine?
The canonical SMILES for 1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine is C=C(NCC)NC1CCNC1.
What is the InChIKey of 1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine?
The InChIKey is ZIKCEHLRSIMLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-10-7(2)11-8-4-5-9-6-8/h8-11H,2-6H2,1H3.
What are the key properties of 1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine?
1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine has a molecular weight of 155.25 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N'-pyrrolidin-3-ylethene-1,1-diamine is sourced from PubChem (CID 89354736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).