N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

C18H37IN4O — CID 119143425

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(N(C)C)CCCC(C)C1)N1CCC(COC)C1.I
InChIInChI=1S/C18H36N4O.HI/c1-15-7-6-9-18(11-15,21(3)4)14-20-17(19-2)22-10-8-16(12-22)13-23-5;/h15-16H,6-14H2,1-5H3,(H,19,20);1H
InChIKeyKBXVEACEDHHYHK-UHFFFAOYSA-N
MW452.43 g/mol
LogP2.66
Rot. Bonds5

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119143425) has the molecular formula C18H37IN4O and a molecular weight of 452.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119143425
Molecular FormulaC18H37IN4O
Molecular Weight452.43 g/mol
Exact Mass452.20
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(N(C)C)CCCC(C)C1)N1CCC(COC)C1.I
InChIInChI=1S/C18H36N4O.HI/c1-15-7-6-9-18(11-15,21(3)4)14-20-17(19-2)22-10-8-16(12-22)13-23-5;/h15-16H,6-14H2,1-5H3,(H,19,20);1H
InChIKeyKBXVEACEDHHYHK-UHFFFAOYSA-N
XLogP2.66
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
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

N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 119143498
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167099
3-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111736022
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 119156808
1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine;hydroiodide
CID 119150208
N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735948
N-amino-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 104882303
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111608023
3-(methoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-1-carboximidamide
CID 111737711
N-[2-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737756
1-(1-cyclopropylpyrrolidin-3-yl)-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylguanidine
CID 119150209
3-(methoxymethyl)-N'-methyl-N-pentylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737726

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (CID 119143425) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCC1(N(C)C)CCCC(C)C1)N1CCC(COC)C1.I.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is KBXVEACEDHHYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O.HI/c1-15-7-6-9-18(11-15,21(3)4)14-20-17(19-2)22-10-8-16(12-22)13-23-5;/h15-16H,6-14H2,1-5H3,(H,19,20);1H.
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 452.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119143425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).