1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine

C8H17N3 — CID 131101788

IUPAC1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)NCC1CC1
InChIInChI=1S/C8H17N3/c1-3-10-8(9-2)11-6-7-4-5-7/h7H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeyHZICTMWLCQMKOL-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.58
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine

1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine (PubChem CID 131101788) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
PubChem CID131101788
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)NCC1CC1
InChIInChI=1S/C8H17N3/c1-3-10-8(9-2)11-6-7-4-5-7/h7H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeyHZICTMWLCQMKOL-UHFFFAOYSA-N
XLogP0.58
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclopropylmethyl)-3-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-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869131
1,3-diethyl-2-methylguanidine
CID 58687650
1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine
CID 111868538
1-(cyclobutylmethyl)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methyl]guanidine
CID 119140565
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine
CID 84584168
1-(cyclopropylmethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 111867320
1-(cyclopropylmethyl)-3-[2-(dimethylamino)-3-ethylpentyl]-2-methylguanidine
CID 111869570
1-(cyclopropylmethyl)-2-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111870502
1-(3-ethoxypropyl)-3-[(4-ethylcyclohexyl)methyl]-2-methylguanidine
CID 111222757
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869610
1-(cyclopropylmethyl)-2-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 119154458
1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine
CID 110920688

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine?
The IUPAC name of 1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine (CID 131101788) is 1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine?
The canonical SMILES for 1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine is CCN/C(=N\C)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine?
The InChIKey is HZICTMWLCQMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-10-8(9-2)11-6-7-4-5-7/h7H,3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine?
1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine has a molecular weight of 155.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine is sourced from PubChem (CID 131101788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).