cyclopentene-1,3-diamine

C5H10N2 — CID 23568360

IUPACcyclopentene-1,3-diamine
SMILESNC1=CC(N)CC1
InChIInChI=1S/C5H10N2/c6-4-1-2-5(7)3-4/h3-4H,1-2,6-7H2
InChIKeyBRUDYGDPGIDYBH-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.05
Rot. Bonds

About cyclopentene-1,3-diamine

cyclopentene-1,3-diamine (PubChem CID 23568360) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is cyclopentene-1,3-diamine.

Molecular Properties

Compound Namecyclopentene-1,3-diamine
PubChem CID23568360
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Namecyclopentene-1,3-diamine
SMILESNC1=CC(N)CC1
InChIInChI=1S/C5H10N2/c6-4-1-2-5(7)3-4/h3-4H,1-2,6-7H2
InChIKeyBRUDYGDPGIDYBH-UHFFFAOYSA-N
XLogP-0.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentene-1,3-diamine?
The IUPAC name of cyclopentene-1,3-diamine (CID 23568360) is cyclopentene-1,3-diamine.
What is the SMILES notation for cyclopentene-1,3-diamine?
The canonical SMILES for cyclopentene-1,3-diamine is NC1=CC(N)CC1.
What is the InChIKey of cyclopentene-1,3-diamine?
The InChIKey is BRUDYGDPGIDYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c6-4-1-2-5(7)3-4/h3-4H,1-2,6-7H2.
What are the key properties of cyclopentene-1,3-diamine?
cyclopentene-1,3-diamine has a molecular weight of 98.15 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentene-1,3-diamine is sourced from PubChem (CID 23568360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).