4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide

C13H27N3 — CID 110919808

IUPAC4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
SMILESCC(C)CCC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C13H27N3/c1-11(2)5-4-8-15-13(14)16-9-6-12(3)7-10-16/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyZJSJVLLZMPHLEP-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.47
Rot. Bonds4

About 4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide

4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide (PubChem CID 110919808) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
PubChem CID110919808
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
SMILESCC(C)CCC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C13H27N3/c1-11(2)5-4-8-15-13(14)16-9-6-12(3)7-10-16/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyZJSJVLLZMPHLEP-UHFFFAOYSA-N
XLogP2.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
N'-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919582
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920087
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110935389
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-(4-methylpentyl)cyclopropanecarboximidamide
CID 63181203
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide (CID 110919808) is 4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide is CC(C)CCC/N=C(\N)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide?
The InChIKey is ZJSJVLLZMPHLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)5-4-8-15-13(14)16-9-6-12(3)7-10-16/h11-12H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide?
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide has a molecular weight of 225.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide is sourced from PubChem (CID 110919808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).