2-butyl-3,4,5-triiminocyclopenten-1-amine

C9H14N4 — CID 59755492

IUPAC2-butyl-3,4,5-triiminocyclopenten-1-amine
SMILES[H]/N=c1/c(N)c(CCCC)c(=N/[H])/c1=N\[H]
InChIInChI=1S/C9H14N4/c1-2-3-4-5-6(10)8(12)9(13)7(5)11/h10,12-13H,2-4,11H2,1H3/b10-6-,12-8+,13-9-
InChIKeySVNAXKRFHVOHFW-IUGQJKNMSA-N
MW178.24 g/mol
LogP-0.07
Rot. Bonds3

About 2-butyl-3,4,5-triiminocyclopenten-1-amine

2-butyl-3,4,5-triiminocyclopenten-1-amine (PubChem CID 59755492) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-butyl-3,4,5-triiminocyclopenten-1-amine.

Molecular Properties

Compound Name2-butyl-3,4,5-triiminocyclopenten-1-amine
PubChem CID59755492
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-butyl-3,4,5-triiminocyclopenten-1-amine
SMILES[H]/N=c1/c(N)c(CCCC)c(=N/[H])/c1=N\[H]
InChIInChI=1S/C9H14N4/c1-2-3-4-5-6(10)8(12)9(13)7(5)11/h10,12-13H,2-4,11H2,1H3/b10-6-,12-8+,13-9-
InChIKeySVNAXKRFHVOHFW-IUGQJKNMSA-N
XLogP-0.07
TPSA97.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,4,5-triiminocyclopenten-1-amine?
The IUPAC name of 2-butyl-3,4,5-triiminocyclopenten-1-amine (CID 59755492) is 2-butyl-3,4,5-triiminocyclopenten-1-amine.
What is the SMILES notation for 2-butyl-3,4,5-triiminocyclopenten-1-amine?
The canonical SMILES for 2-butyl-3,4,5-triiminocyclopenten-1-amine is [H]/N=c1/c(N)c(CCCC)c(=N/[H])/c1=N\[H].
What is the InChIKey of 2-butyl-3,4,5-triiminocyclopenten-1-amine?
The InChIKey is SVNAXKRFHVOHFW-IUGQJKNMSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-3-4-5-6(10)8(12)9(13)7(5)11/h10,12-13H,2-4,11H2,1H3/b10-6-,12-8+,13-9-.
What are the key properties of 2-butyl-3,4,5-triiminocyclopenten-1-amine?
2-butyl-3,4,5-triiminocyclopenten-1-amine has a molecular weight of 178.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,4,5-triiminocyclopenten-1-amine is sourced from PubChem (CID 59755492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).