N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide

C15H31N3O — CID 111144020

IUPACN-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(O)(CC)CC)N1CCCC(C)C1
InChIInChI=1S/C15H31N3O/c1-5-15(19,6-2)12-17-14(16-7-3)18-10-8-9-13(4)11-18/h13,19H,5-12H2,1-4H3,(H,16,17)
InChIKeyIWIDNPQMZBZISM-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.23
Rot. Bonds5

About N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide

N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 111144020) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide
PubChem CID111144020
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(O)(CC)CC)N1CCCC(C)C1
InChIInChI=1S/C15H31N3O/c1-5-15(19,6-2)12-17-14(16-7-3)18-10-8-9-13(4)11-18/h13,19H,5-12H2,1-4H3,(H,16,17)
InChIKeyIWIDNPQMZBZISM-UHFFFAOYSA-N
XLogP2.23
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide
CID 111143938
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
N-ethyl-3-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 111144992
N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide
CID 119155651
N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
CID 111144659
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboximidamide
CID 111144884
N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide
CID 111144644
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111145412
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111145411
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144259
N-ethyl-N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111145458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide (CID 111144020) is N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide is CCN/C(=N\CC(O)(CC)CC)N1CCCC(C)C1.
What is the InChIKey of N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is IWIDNPQMZBZISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-15(19,6-2)12-17-14(16-7-3)18-10-8-9-13(4)11-18/h13,19H,5-12H2,1-4H3,(H,16,17).
What are the key properties of N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide?
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 269.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111144020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).