2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine

C12H23N3 — CID 141003024

IUPAC2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine
SMILESNCC1CCCC1C1CCCC=CN1N
InChIInChI=1S/C12H23N3/c13-9-10-5-4-6-11(10)12-7-2-1-3-8-15(12)14/h3,8,10-12H,1-2,4-7,9,13-14H2
InChIKeyGGQBPUUOLUVGMQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.60
Rot. Bonds2

About 2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine

2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine (PubChem CID 141003024) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine.

Molecular Properties

Compound Name2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine
PubChem CID141003024
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine
SMILESNCC1CCCC1C1CCCC=CN1N
InChIInChI=1S/C12H23N3/c13-9-10-5-4-6-11(10)12-7-2-1-3-8-15(12)14/h3,8,10-12H,1-2,4-7,9,13-14H2
InChIKeyGGQBPUUOLUVGMQ-UHFFFAOYSA-N
XLogP1.60
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-nonan-4-yl-1,5-dihydropyrazole
CID 168921752

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine?
The IUPAC name of 2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine (CID 141003024) is 2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine.
What is the SMILES notation for 2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine?
The canonical SMILES for 2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine is NCC1CCCC1C1CCCC=CN1N.
What is the InChIKey of 2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine?
The InChIKey is GGQBPUUOLUVGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c13-9-10-5-4-6-11(10)12-7-2-1-3-8-15(12)14/h3,8,10-12H,1-2,4-7,9,13-14H2.
What are the key properties of 2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine?
2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)cyclopentyl]-2,3,4,5-tetrahydroazepin-1-amine is sourced from PubChem (CID 141003024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).