1-amino-1-ethylguanidine;hydrochloride

C3H11ClN4 — CID 86084678

IUPAC1-amino-1-ethylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(N)CC
InChIInChI=1S/C3H10N4.ClH/c1-2-7(6)3(4)5;/h2,6H2,1H3,(H3,4,5);1H
InChIKeyOLBJUUOODGEESP-UHFFFAOYSA-N
MW138.60 g/mol
LogP-0.50
Rot. Bonds1

About 1-amino-1-ethylguanidine;hydrochloride

1-amino-1-ethylguanidine;hydrochloride (PubChem CID 86084678) has the molecular formula C3H11ClN4 and a molecular weight of 138.60 g/mol. Its IUPAC name is 1-amino-1-ethylguanidine;hydrochloride.

Molecular Properties

Compound Name1-amino-1-ethylguanidine;hydrochloride
PubChem CID86084678
Molecular FormulaC3H11ClN4
Molecular Weight138.60 g/mol
Exact Mass138.07
IUPAC Name1-amino-1-ethylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(N)CC
InChIInChI=1S/C3H10N4.ClH/c1-2-7(6)3(4)5;/h2,6H2,1H3,(H3,4,5);1H
InChIKeyOLBJUUOODGEESP-UHFFFAOYSA-N
XLogP-0.50
TPSA79.13 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 ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Amino-ethylguanidine
CID 19819531
1-Amino-1-propylguanidine
CID 19879838
1,2-Diamino-1-ethylguanidine
CID 19966848
1-Ethyl-1-(ethylamino)guanidine
CID 20348552
1,2-Diamino-1-ethylguanidine
CID 53920496
1,2-Diamino-1-ethylguanidine
CID 55279274
1-Amino-1-[2-(dimethylamino)ethyl]guanidine
CID 55284938
1-Amino-1-propan-2-ylguanidine
CID 86084669
1-Amino-1-propylguanidine;hydrochloride
CID 86084681
1-Amino-1-(cyanomethyl)guanidine;formonitrile
CID 87969037
1-Amino-1-butylguanidine
CID 88441626
1-Amino-1-ethyl-2-methylguanidine
CID 151166246

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-ethylguanidine;hydrochloride?
The IUPAC name of 1-amino-1-ethylguanidine;hydrochloride (CID 86084678) is 1-amino-1-ethylguanidine;hydrochloride.
What is the SMILES notation for 1-amino-1-ethylguanidine;hydrochloride?
The canonical SMILES for 1-amino-1-ethylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(N)CC.
What is the InChIKey of 1-amino-1-ethylguanidine;hydrochloride?
The InChIKey is OLBJUUOODGEESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4.ClH/c1-2-7(6)3(4)5;/h2,6H2,1H3,(H3,4,5);1H.
What are the key properties of 1-amino-1-ethylguanidine;hydrochloride?
1-amino-1-ethylguanidine;hydrochloride has a molecular weight of 138.60 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-ethylguanidine;hydrochloride is sourced from PubChem (CID 86084678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).