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

C17H30N4 — CID 59755497

IUPAC2-dodecyl-3,4,5-triiminocyclopenten-1-amine
SMILES[H]/N=c1/c(N)c(CCCCCCCCCCCC)c(=N/[H])/c1=N\[H]
InChIInChI=1S/C17H30N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(18)16(20)17(21)15(13)19/h18,20-21H,2-12,19H2,1H3/b18-14-,20-16+,21-17-
InChIKeyRPXTUVFMIISHDI-KFACZQTJSA-N
MW290.45 g/mol
LogP3.05
Rot. Bonds11

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

2-dodecyl-3,4,5-triiminocyclopenten-1-amine (PubChem CID 59755497) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-dodecyl-3,4,5-triiminocyclopenten-1-amine.

Molecular Properties

Compound Name2-dodecyl-3,4,5-triiminocyclopenten-1-amine
PubChem CID59755497
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-dodecyl-3,4,5-triiminocyclopenten-1-amine
SMILES[H]/N=c1/c(N)c(CCCCCCCCCCCC)c(=N/[H])/c1=N\[H]
InChIInChI=1S/C17H30N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(18)16(20)17(21)15(13)19/h18,20-21H,2-12,19H2,1H3/b18-14-,20-16+,21-17-
InChIKeyRPXTUVFMIISHDI-KFACZQTJSA-N
XLogP3.05
TPSA97.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-3,4,5-triiminocyclopenten-1-amine?
The IUPAC name of 2-dodecyl-3,4,5-triiminocyclopenten-1-amine (CID 59755497) is 2-dodecyl-3,4,5-triiminocyclopenten-1-amine.
What is the SMILES notation for 2-dodecyl-3,4,5-triiminocyclopenten-1-amine?
The canonical SMILES for 2-dodecyl-3,4,5-triiminocyclopenten-1-amine is [H]/N=c1/c(N)c(CCCCCCCCCCCC)c(=N/[H])/c1=N\[H].
What is the InChIKey of 2-dodecyl-3,4,5-triiminocyclopenten-1-amine?
The InChIKey is RPXTUVFMIISHDI-KFACZQTJSA-N. The full InChI is InChI=1S/C17H30N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(18)16(20)17(21)15(13)19/h18,20-21H,2-12,19H2,1H3/b18-14-,20-16+,21-17-.
What are the key properties of 2-dodecyl-3,4,5-triiminocyclopenten-1-amine?
2-dodecyl-3,4,5-triiminocyclopenten-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.05, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-3,4,5-triiminocyclopenten-1-amine is sourced from PubChem (CID 59755497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).