N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide

C18H36N4O — CID 119143498

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCC1(N(C)C)CCCCCC1)N1CCC(COC)C1
InChIInChI=1S/C18H36N4O/c1-19-17(22-12-9-16(13-22)14-23-4)20-15-18(21(2)3)10-7-5-6-8-11-18/h16H,5-15H2,1-4H3,(H,19,20)
InChIKeyYJVSMKLUTDVCSC-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.18
Rot. Bonds5

About N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide

N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 119143498) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID119143498
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCC1(N(C)C)CCCCCC1)N1CCC(COC)C1
InChIInChI=1S/C18H36N4O/c1-19-17(22-12-9-16(13-22)14-23-4)20-15-18(21(2)3)10-7-5-6-8-11-18/h16H,5-15H2,1-4H3,(H,19,20)
InChIKeyYJVSMKLUTDVCSC-UHFFFAOYSA-N
XLogP2.18
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.18
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'}

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Related Compounds

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143425
3-(methoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-1-carboximidamide
CID 111737711
3-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111736022
N-[2-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737757
N-amino-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 104882303
N-[2-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737756
N-[2-[di(propan-2-yl)amino]ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737403
N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735948
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111736721
3-(methoxymethyl)-N'-methyl-N-pentylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737726
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961
3-(ethoxymethyl)-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111997198

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide (CID 119143498) is N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NCC1(N(C)C)CCCCCC1)N1CCC(COC)C1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is YJVSMKLUTDVCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-19-17(22-12-9-16(13-22)14-23-4)20-15-18(21(2)3)10-7-5-6-8-11-18/h16H,5-15H2,1-4H3,(H,19,20).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 324.51 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 119143498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).