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

C19H38IN5 — CID 119150208

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC1(N(C)C)CCCC(C)C1)NC1CCN(C2CC2)C1.I
InChIInChI=1S/C19H37N5.HI/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);1H
InChIKeyZBBZZYRINOLTJA-UHFFFAOYSA-N
MW463.45 g/mol
LogP2.52
Rot. Bonds5

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

1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide (PubChem CID 119150208) has the molecular formula C19H38IN5 and a molecular weight of 463.45 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide
PubChem CID119150208
Molecular FormulaC19H38IN5
Molecular Weight463.45 g/mol
Exact Mass463.22
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC1(N(C)C)CCCC(C)C1)NC1CCN(C2CC2)C1.I
InChIInChI=1S/C19H37N5.HI/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);1H
InChIKeyZBBZZYRINOLTJA-UHFFFAOYSA-N
XLogP2.52
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 52.52
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine
CID 119150209
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 119157533
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methylguanidine
CID 119157534
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-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143425
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940452
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide (CID 119150208) is 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide is C/N=C(/NCC1(N(C)C)CCCC(C)C1)NC1CCN(C2CC2)C1.I.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide?
The InChIKey is ZBBZZYRINOLTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5.HI/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);1H.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide?
1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide has a molecular weight of 463.45 g/mol, XLogP of 2.52, 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;hydroiodide is sourced from PubChem (CID 119150208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).