1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine

C11H21N3 — CID 163861871

IUPAC1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine
SMILESC=C(N)C(N)C1CCC(CC)=C1NC
InChIInChI=1S/C11H21N3/c1-4-8-5-6-9(11(8)14-3)10(13)7(2)12/h9-10,14H,2,4-6,12-13H2,1,3H3
InChIKeyPDGFGQJAPGLLDC-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.08
Rot. Bonds4

About 1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine

1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine (PubChem CID 163861871) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine
PubChem CID163861871
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine
SMILESC=C(N)C(N)C1CCC(CC)=C1NC
InChIInChI=1S/C11H21N3/c1-4-8-5-6-9(11(8)14-3)10(13)7(2)12/h9-10,14H,2,4-6,12-13H2,1,3H3
InChIKeyPDGFGQJAPGLLDC-UHFFFAOYSA-N
XLogP1.08
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine?
The IUPAC name of 1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine (CID 163861871) is 1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine?
The canonical SMILES for 1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine is C=C(N)C(N)C1CCC(CC)=C1NC.
What is the InChIKey of 1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine?
The InChIKey is PDGFGQJAPGLLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-8-5-6-9(11(8)14-3)10(13)7(2)12/h9-10,14H,2,4-6,12-13H2,1,3H3.
What are the key properties of 1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine?
1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-(methylamino)cyclopent-2-en-1-yl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 163861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).