2-(1-aminoethyl)guanidine;hydrochloride

C3H11ClN4 — CID 55285511

IUPAC2-(1-aminoethyl)guanidine;hydrochloride
SMILESCC(N)N=C(N)N.Cl
InChIInChI=1S/C3H10N4.ClH/c1-2(4)7-3(5)6;/h2H,4H2,1H3,(H4,5,6,7);1H
InChIKeyMJLAKAUVZMXFCD-UHFFFAOYSA-N
MW138.60 g/mol
LogP-1.01
Rot. Bonds1

About 2-(1-aminoethyl)guanidine;hydrochloride

2-(1-aminoethyl)guanidine;hydrochloride (PubChem CID 55285511) has the molecular formula C3H11ClN4 and a molecular weight of 138.60 g/mol. Its IUPAC name is 2-(1-aminoethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(1-aminoethyl)guanidine;hydrochloride
PubChem CID55285511
Molecular FormulaC3H11ClN4
Molecular Weight138.60 g/mol
Exact Mass138.07
IUPAC Name2-(1-aminoethyl)guanidine;hydrochloride
SMILESCC(N)N=C(N)N.Cl
InChIInChI=1S/C3H10N4.ClH/c1-2(4)7-3(5)6;/h2H,4H2,1H3,(H4,5,6,7);1H
InChIKeyMJLAKAUVZMXFCD-UHFFFAOYSA-N
XLogP-1.01
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.60
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
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-(1-aminoethyl)guanidine;hydrochloride 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-(1-aminooxyethyl)guanidine
CID 173251677
2-propan-2-ylguanidine;sulfuric acid
CID 11644095
2-(4-amino-1-fluoropentyl)guanidine
CID 88665162
CID 171370188
CID 171370188
N'-amino-2-methylpropanimidamide;dihydrochloride
CID 167730390
2-(1-hydroxy-3-methylbutan-2-yl)guanidine
CID 59851371
2-[(2S)-pentan-2-yl]guanidine
CID 94416084
2-(diaminomethylideneamino)propanoic acid;hydrate
CID 141309019
ethane-1,1-diamine;tetrahydrochloride
CID 142050640
(E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide
CID 123439490
(2S)-2-amino-N'-propan-2-ylpropanimidamide
CID 153012728
2-(2-hydroxypentan-3-yl)guanidine
CID 131162693

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)guanidine;hydrochloride?
The IUPAC name of 2-(1-aminoethyl)guanidine;hydrochloride (CID 55285511) is 2-(1-aminoethyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(1-aminoethyl)guanidine;hydrochloride?
The canonical SMILES for 2-(1-aminoethyl)guanidine;hydrochloride is CC(N)N=C(N)N.Cl.
What is the InChIKey of 2-(1-aminoethyl)guanidine;hydrochloride?
The InChIKey is MJLAKAUVZMXFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4.ClH/c1-2(4)7-3(5)6;/h2H,4H2,1H3,(H4,5,6,7);1H.
What are the key properties of 2-(1-aminoethyl)guanidine;hydrochloride?
2-(1-aminoethyl)guanidine;hydrochloride has a molecular weight of 138.60 g/mol, XLogP of -1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)guanidine;hydrochloride is sourced from PubChem (CID 55285511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).