4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine

C12H21N3 — CID 58111088

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
SMILESCCN1CCN(CC2=CC=C(N)C2)CC1
InChIInChI=1S/C12H21N3/c1-2-14-5-7-15(8-6-14)10-11-3-4-12(13)9-11/h3-4H,2,5-10,13H2,1H3
InChIKeyJTSUGXNZKVFTTE-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.80
Rot. Bonds3

About 4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine

4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine (PubChem CID 58111088) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
PubChem CID58111088
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
SMILESCCN1CCN(CC2=CC=C(N)C2)CC1
InChIInChI=1S/C12H21N3/c1-2-14-5-7-15(8-6-14)10-11-3-4-12(13)9-11/h3-4H,2,5-10,13H2,1H3
InChIKeyJTSUGXNZKVFTTE-UHFFFAOYSA-N
XLogP0.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine (CID 58111088) is 4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine is CCN1CCN(CC2=CC=C(N)C2)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The InChIKey is JTSUGXNZKVFTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-14-5-7-15(8-6-14)10-11-3-4-12(13)9-11/h3-4H,2,5-10,13H2,1H3.
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 58111088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).