[2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine

C7H12N2 — CID 22286738

IUPAC[2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine
SMILESNCC1=C(CN)CC=C1
InChIInChI=1S/C7H12N2/c8-4-6-2-1-3-7(6)5-9/h1-2H,3-5,8-9H2
InChIKeyWFNOQDZNEXDBGO-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.16
Rot. Bonds2

About [2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine

[2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine (PubChem CID 22286738) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine
PubChem CID22286738
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name[2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine
SMILESNCC1=C(CN)CC=C1
InChIInChI=1S/C7H12N2/c8-4-6-2-1-3-7(6)5-9/h1-2H,3-5,8-9H2
InChIKeyWFNOQDZNEXDBGO-UHFFFAOYSA-N
XLogP0.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine?
The IUPAC name of [2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine (CID 22286738) is [2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine?
The canonical SMILES for [2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine is NCC1=C(CN)CC=C1.
What is the InChIKey of [2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine?
The InChIKey is WFNOQDZNEXDBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-6-2-1-3-7(6)5-9/h1-2H,3-5,8-9H2.
What are the key properties of [2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine?
[2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine has a molecular weight of 124.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopenta-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 22286738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).