N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide

C16H32N4 — CID 111145458

IUPACN-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCN(CC)C1)N1CCCC(C)C1
InChIInChI=1S/C16H32N4/c1-4-17-16(20-9-6-7-14(3)12-20)18-11-15-8-10-19(5-2)13-15/h14-15H,4-13H2,1-3H3,(H,17,18)
InChIKeyPKQCZTXCHWGBFG-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.03
Rot. Bonds4

About N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide

N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111145458) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111145458
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC NameN-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCN(CC)C1)N1CCCC(C)C1
InChIInChI=1S/C16H32N4/c1-4-17-16(20-9-6-7-14(3)12-20)18-11-15-8-10-19(5-2)13-15/h14-15H,4-13H2,1-3H3,(H,17,18)
InChIKeyPKQCZTXCHWGBFG-UHFFFAOYSA-N
XLogP2.03
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
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

N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
N-ethyl-3-methyl-N'-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]piperidine-1-carboximidamide
CID 111144540
(3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide
CID 111551058
(3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111551057
N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733879
N'-[(1,1-dioxothiolan-3-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144109
methyl 1-[N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253197
ethyl 4-[N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164228
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723802
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145103
N-ethyl-3-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 111144992
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488567

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide (CID 111145458) is N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide is CCN/C(=N\CC1CCN(CC)C1)N1CCCC(C)C1.
What is the InChIKey of N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is PKQCZTXCHWGBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-4-17-16(20-9-6-7-14(3)12-20)18-11-15-8-10-19(5-2)13-15/h14-15H,4-13H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide?
N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 280.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111145458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).