N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide

C17H33N3O — CID 109490488

IUPACN-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CC2(CO)CC2)NCC)C1
InChIInChI=1S/C17H33N3O/c1-4-7-16(3)8-6-11-20(13-16)15(18-5-2)19-12-17(14-21)9-10-17/h21H,4-14H2,1-3H3,(H,18,19)
InChIKeyZCQSPAFMYMIJNM-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.63
Rot. Bonds6

About N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide

N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490488) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490488
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CC2(CO)CC2)NCC)C1
InChIInChI=1S/C17H33N3O/c1-4-7-16(3)8-6-11-20(13-16)15(18-5-2)19-12-17(14-21)9-10-17/h21H,4-14H2,1-3H3,(H,18,19)
InChIKeyZCQSPAFMYMIJNM-UHFFFAOYSA-N
XLogP2.63
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.63
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

N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-ethyl-N'-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490351
N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490117
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490945
N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
CID 109490860
N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490325
N'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490338
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
CID 109490782
N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490799
N-ethyl-3-methyl-3-propyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 109490677
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490904
2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 109490632

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide (CID 109490488) is N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/CC2(CO)CC2)NCC)C1.
What is the InChIKey of N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is ZCQSPAFMYMIJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-7-16(3)8-6-11-20(13-16)15(18-5-2)19-12-17(14-21)9-10-17/h21H,4-14H2,1-3H3,(H,18,19).
What are the key properties of N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide?
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 295.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).