N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C17H30N4O — CID 119142787

IUPACN-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC1CC=CCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C17H30N4O/c1-18-17(19-13-15-5-3-2-4-6-15)21-8-7-16(14-21)20-9-11-22-12-10-20/h2-3,15-16H,4-14H2,1H3,(H,18,19)
InChIKeyPDEIJSANTPNHHJ-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.32
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 119142787) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID119142787
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC1CC=CCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C17H30N4O/c1-18-17(19-13-15-5-3-2-4-6-15)21-8-7-16(14-21)20-9-11-22-12-10-20/h2-3,15-16H,4-14H2,1H3,(H,18,19)
InChIKeyPDEIJSANTPNHHJ-UHFFFAOYSA-N
XLogP1.32
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.32
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclooctylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728150
N'-methyl-3-morpholin-4-yl-N-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142608
N'-methyl-3-morpholin-4-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725842
N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726567
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728226
N'-methyl-N-(4-methylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726361
2,2-dimethyl-N-[2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111726284
N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143218
tert-butyl 3-[[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111728292
N-(3-methoxypropyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726310
3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 119154284
N'-methyl-3-morpholin-4-yl-N-[(2-phenyloxan-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726608

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 119142787) is N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is C/N=C(\NCC1CC=CCC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is PDEIJSANTPNHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-18-17(19-13-15-5-3-2-4-6-15)21-8-7-16(14-21)20-9-11-22-12-10-20/h2-3,15-16H,4-14H2,1H3,(H,18,19).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 306.45 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 119142787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).