N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide

C20H38N4O — CID 119155797

IUPACN-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CC1(N2CCCC2)CCOCC1)N1CC(C)CC(C)C1
InChIInChI=1S/C20H38N4O/c1-4-21-19(23-14-17(2)13-18(3)15-23)22-16-20(7-11-25-12-8-20)24-9-5-6-10-24/h17-18H,4-16H2,1-3H3,(H,21,22)
InChIKeyPVGHJAHRHFPXIB-UHFFFAOYSA-N
MW350.55 g/mol
LogP2.57
Rot. Bonds4

About N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide

N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide (PubChem CID 119155797) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide
PubChem CID119155797
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC NameN-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CC1(N2CCCC2)CCOCC1)N1CC(C)CC(C)C1
InChIInChI=1S/C20H38N4O/c1-4-21-19(23-14-17(2)13-18(3)15-23)22-16-20(7-11-25-12-8-20)24-9-5-6-10-24/h17-18H,4-16H2,1-3H3,(H,21,22)
InChIKeyPVGHJAHRHFPXIB-UHFFFAOYSA-N
XLogP2.57
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 52.57
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-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 119156119
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 119156365
1-ethyl-3-propan-2-yl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 111834702
1-tert-butyl-3-ethyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 119140085
N-ethyl-N'-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119999858
1-ethyl-3-pentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111834789
ethyl 1-[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156146
N-ethyl-N'-[(4-methylsulfanyloxan-4-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441819
3-(diethylamino)-N-ethyl-N'-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 111991093
1-ethyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109475094
2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 119123964
N-ethyl-N'-[(4-ethylsulfanyloxan-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111826123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide (CID 119155797) is N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide is CCN/C(=N\CC1(N2CCCC2)CCOCC1)N1CC(C)CC(C)C1.
What is the InChIKey of N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is PVGHJAHRHFPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-4-21-19(23-14-17(2)13-18(3)15-23)22-16-20(7-11-25-12-8-20)24-9-5-6-10-24/h17-18H,4-16H2,1-3H3,(H,21,22).
What are the key properties of N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide?
N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 350.55 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 119155797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).