N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide

C12H25N3O — CID 110919499

IUPACN'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
SMILESCCOCCC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C12H25N3O/c1-3-16-10-4-7-14-12(13)15-8-5-11(2)6-9-15/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKeySMTKDUPXLXYCPG-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.46
Rot. Bonds5

About N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide

N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide (PubChem CID 110919499) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
PubChem CID110919499
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
SMILESCCOCCC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C12H25N3O/c1-3-16-10-4-7-14-12(13)15-8-5-11(2)6-9-15/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKeySMTKDUPXLXYCPG-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935415
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111025862
4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide
CID 110033267

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide (CID 110919499) is N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide is CCOCCC/N=C(\N)N1CCC(C)CC1.
What is the InChIKey of N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is SMTKDUPXLXYCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-16-10-4-7-14-12(13)15-8-5-11(2)6-9-15/h11H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide?
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).