1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine

C7H14N6 — CID 116511019

IUPAC1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NN)NC(C)c1ncc[nH]1
InChIInChI=1S/C7H14N6/c1-5(6-10-3-4-11-6)12-7(9-2)13-8/h3-5H,8H2,1-2H3,(H,10,11)(H2,9,12,13)
InChIKeyOXRLTVRZHVQDAJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.49
Rot. Bonds2

About 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine

1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine (PubChem CID 116511019) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine
PubChem CID116511019
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NN)NC(C)c1ncc[nH]1
InChIInChI=1S/C7H14N6/c1-5(6-10-3-4-11-6)12-7(9-2)13-8/h3-5H,8H2,1-2H3,(H,10,11)(H2,9,12,13)
InChIKeyOXRLTVRZHVQDAJ-UHFFFAOYSA-N
XLogP-0.49
TPSA91.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

Analyze 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine 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

1-amino-2-butyl-3-[1-(1H-imidazol-2-yl)propyl]guanidine
CID 116516466
3-[1-(1H-imidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114899046
N-[(1S)-1-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 167887556
1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea
CID 116510320
butyl N-[(1S)-1-(1H-imidazol-2-yl)ethyl]carbamate
CID 139947377
hydrazine;2-propan-2-yl-1H-imidazole
CID 158955026
(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide
CID 107146607
6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 146109150
1-(1H-imidazol-2-yl)ethanamine;hydrochloride
CID 86811802
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105387534
methyl 2-(1H-imidazol-2-yl)propanoate
CID 67005810

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine (CID 116511019) is 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine is C/N=C(\NN)NC(C)c1ncc[nH]1.
What is the InChIKey of 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine?
The InChIKey is OXRLTVRZHVQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-5(6-10-3-4-11-6)12-7(9-2)13-8/h3-5H,8H2,1-2H3,(H,10,11)(H2,9,12,13).
What are the key properties of 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine?
1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine has a molecular weight of 182.23 g/mol, XLogP of -0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 116511019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).