2-amino-1-(cyclopropylmethyl)-1-methylguanidine

C6H14N4 — CID 64868366

IUPAC2-amino-1-(cyclopropylmethyl)-1-methylguanidine
SMILESCN(CC1CC1)/C(N)=N/N
InChIInChI=1S/C6H14N4/c1-10(6(7)9-8)4-5-2-3-5/h5H,2-4,8H2,1H3,(H2,7,9)
InChIKeyTWONQMDVWVGZHN-UHFFFAOYSA-N
MW142.21 g/mol
LogP-0.48
Rot. Bonds2

About 2-amino-1-(cyclopropylmethyl)-1-methylguanidine

2-amino-1-(cyclopropylmethyl)-1-methylguanidine (PubChem CID 64868366) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 2-amino-1-(cyclopropylmethyl)-1-methylguanidine.

Molecular Properties

Compound Name2-amino-1-(cyclopropylmethyl)-1-methylguanidine
PubChem CID64868366
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name2-amino-1-(cyclopropylmethyl)-1-methylguanidine
SMILESCN(CC1CC1)/C(N)=N/N
InChIInChI=1S/C6H14N4/c1-10(6(7)9-8)4-5-2-3-5/h5H,2-4,8H2,1H3,(H2,7,9)
InChIKeyTWONQMDVWVGZHN-UHFFFAOYSA-N
XLogP-0.48
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
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'}

Analyze 2-amino-1-(cyclopropylmethyl)-1-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

2-amino-1-(cyclopentylmethyl)-1-methylguanidine
CID 77058534
2-amino-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
CID 77054142
1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine
CID 62364104
2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine
CID 176547026
2-tert-butyl-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 63234380
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 76993513
2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 87258181
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide
CID 143959726
ethyl N-(cyclopropylmethyl)-N-methylcarbamate
CID 56630392
2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
CID 107904481

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(cyclopropylmethyl)-1-methylguanidine?
The IUPAC name of 2-amino-1-(cyclopropylmethyl)-1-methylguanidine (CID 64868366) is 2-amino-1-(cyclopropylmethyl)-1-methylguanidine.
What is the SMILES notation for 2-amino-1-(cyclopropylmethyl)-1-methylguanidine?
The canonical SMILES for 2-amino-1-(cyclopropylmethyl)-1-methylguanidine is CN(CC1CC1)/C(N)=N/N.
What is the InChIKey of 2-amino-1-(cyclopropylmethyl)-1-methylguanidine?
The InChIKey is TWONQMDVWVGZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-10(6(7)9-8)4-5-2-3-5/h5H,2-4,8H2,1H3,(H2,7,9).
What are the key properties of 2-amino-1-(cyclopropylmethyl)-1-methylguanidine?
2-amino-1-(cyclopropylmethyl)-1-methylguanidine has a molecular weight of 142.21 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(cyclopropylmethyl)-1-methylguanidine is sourced from PubChem (CID 64868366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).