2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine

C8H17N5 — CID 140599397

IUPAC2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N\C(N)=N\CC1CC1
InChIInChI=1S/C8H17N5/c1-13(2)8(10)12-7(9)11-5-6-3-4-6/h6H,3-5H2,1-2H3,(H4,9,10,11,12)
InChIKeyRTJJZFMEARRGGY-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.41
Rot. Bonds2

About 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine

2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine (PubChem CID 140599397) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
PubChem CID140599397
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N\C(N)=N\CC1CC1
InChIInChI=1S/C8H17N5/c1-13(2)8(10)12-7(9)11-5-6-3-4-6/h6H,3-5H2,1-2H3,(H4,9,10,11,12)
InChIKeyRTJJZFMEARRGGY-UHFFFAOYSA-N
XLogP-0.41
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.41
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 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine 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-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 83032402
2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
CID 110030438
(1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine
CID 21492995
2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111076575
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 154494478
1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine
CID 159423174
[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium
CID 159777980
2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine
CID 53307491
2-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
CID 118466379
1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine
CID 123690358
1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine
CID 123209755
1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107419018

Frequently Asked Questions

What is the IUPAC name of 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine (CID 140599397) is 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine is CN(C)/C(N)=N\C(N)=N\CC1CC1.
What is the InChIKey of 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine?
The InChIKey is RTJJZFMEARRGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-13(2)8(10)12-7(9)11-5-6-3-4-6/h6H,3-5H2,1-2H3,(H4,9,10,11,12).
What are the key properties of 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine?
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine has a molecular weight of 183.26 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine is sourced from PubChem (CID 140599397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).