N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

C13H27N3 — CID 109490392

IUPACN-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC)C1
InChIInChI=1S/C13H27N3/c1-5-8-13(3)9-7-10-16(11-13)12(14-4)15-6-2/h5-11H2,1-4H3,(H,14,15)
InChIKeyXZXDNYCNSDBFNF-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.48
Rot. Bonds3

About N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490392) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490392
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC)C1
InChIInChI=1S/C13H27N3/c1-5-8-13(3)9-7-10-16(11-13)12(14-4)15-6-2/h5-11H2,1-4H3,(H,14,15)
InChIKeyXZXDNYCNSDBFNF-UHFFFAOYSA-N
XLogP2.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490573
2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]-N-propylacetamide
CID 109490288
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490488
2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
CID 109490153
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490254
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490616
N',3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490865
N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490733
N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490448
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490096
N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490117
N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
CID 109490860

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (CID 109490392) is N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCC)C1.
What is the InChIKey of N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is XZXDNYCNSDBFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-8-13(3)9-7-10-16(11-13)12(14-4)15-6-2/h5-11H2,1-4H3,(H,14,15).
What are the key properties of N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 225.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).