1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine

C19H37N5 — CID 119150209

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine
SMILESC/N=C(/NCC1(N(C)C)CCCC(C)C1)NC1CCN(C2CC2)C1
InChIInChI=1S/C19H37N5/c1-15-6-5-10-19(12-15,23(3)4)14-21-18(20-2)22-16-9-11-24(13-16)17-7-8-17/h15-17H,5-14H2,1-4H3,(H2,20,21,22)
InChIKeyVKRZOKAETOJMDL-UHFFFAOYSA-N
MW335.54 g/mol
LogP1.90
Rot. Bonds5

About 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine

1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine (PubChem CID 119150209) has the molecular formula C19H37N5 and a molecular weight of 335.54 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine
PubChem CID119150209
Molecular FormulaC19H37N5
Molecular Weight335.54 g/mol
Exact Mass335.30
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine
SMILESC/N=C(/NCC1(N(C)C)CCCC(C)C1)NC1CCN(C2CC2)C1
InChIInChI=1S/C19H37N5/c1-15-6-5-10-19(12-15,23(3)4)14-21-18(20-2)22-16-9-11-24(13-16)17-7-8-17/h15-17H,5-14H2,1-4H3,(H2,20,21,22)
InChIKeyVKRZOKAETOJMDL-UHFFFAOYSA-N
XLogP1.90
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-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-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide
CID 119150208
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methylguanidine
CID 119157534
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 119157533
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111608023
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119150301
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 119150604
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111919699
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111955351
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143425
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 119150073

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine (CID 119150209) is 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine is C/N=C(/NCC1(N(C)C)CCCC(C)C1)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine?
The InChIKey is VKRZOKAETOJMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5/c1-15-6-5-10-19(12-15,23(3)4)14-21-18(20-2)22-16-9-11-24(13-16)17-7-8-17/h15-17H,5-14H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine?
1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine has a molecular weight of 335.54 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine is sourced from PubChem (CID 119150209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).