2-[2-(azocan-1-yl)ethyl]guanidine

C10H22N4 — CID 3518

💊View drug profile → guanethidine
IUPAC2-[2-(azocan-1-yl)ethyl]guanidine
SMILESNC(N)=NCCN1CCCCCCC1
InChIInChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)
InChIKeyACGDKVXYNVEAGU-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.53
Rot. Bonds3

About 2-[2-(azocan-1-yl)ethyl]guanidine

2-[2-(azocan-1-yl)ethyl]guanidine (PubChem CID 3518) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[2-(azocan-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(azocan-1-yl)ethyl]guanidine
PubChem CID3518
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-[2-(azocan-1-yl)ethyl]guanidine
SMILESNC(N)=NCCN1CCCCCCC1
InChIInChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)
InChIKeyACGDKVXYNVEAGU-UHFFFAOYSA-N
XLogP0.53
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-(azocan-1-yl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(Azocan-1-yl)ethyl]-1-hydroxyguanidine
CID 379734
Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)-, monohydrochloride
CID 88123
Guanethidine N-oxide
CID 86478
dichloro(guanethidine)platinum(II)
CID 174363
1-(2-Azocan-1-ylethyl)guanidine sulfate
CID 56927696
CID 73707360
CID 73707360
Guanethidine thiocyanate
CID 145740178
2-[2-(Azocan-1-yl)ethyl]guanidine;guanidine
CID 90000500
2-[2-(Azocan-1-yl)ethyl]-1-sulfanylguanidine
CID 153512532
2-(Azocan-1-ylmethyl)guanidine
CID 154301766
2-[2-(Azocan-1-yl)ethyl]guanidine;sulfane
CID 154944449
2-[2-(Azocan-1-yl)ethyl]guanidine;hydron;sulfide
CID 173867160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azocan-1-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(azocan-1-yl)ethyl]guanidine (CID 3518) is 2-[2-(azocan-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(azocan-1-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(azocan-1-yl)ethyl]guanidine is NC(N)=NCCN1CCCCCCC1.
What is the InChIKey of 2-[2-(azocan-1-yl)ethyl]guanidine?
The InChIKey is ACGDKVXYNVEAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13).
What are the key properties of 2-[2-(azocan-1-yl)ethyl]guanidine?
2-[2-(azocan-1-yl)ethyl]guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azocan-1-yl)ethyl]guanidine is sourced from PubChem (CID 3518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).