4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide

C13H27N3 — CID 65250505

IUPAC4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CC(C)CC(C)C1
InChIInChI=1S/C13H27N3/c1-10-7-11(2)9-16(8-10)6-5-13(3,4)12(14)15/h10-11H,5-9H2,1-4H3,(H3,14,15)
InChIKeyVCYNAYCGCCPDRJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.32
Rot. Bonds4

About 4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide

4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 65250505) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide
PubChem CID65250505
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CC(C)CC(C)C1
InChIInChI=1S/C13H27N3/c1-10-7-11(2)9-16(8-10)6-5-13(3,4)12(14)15/h10-11H,5-9H2,1-4H3,(H3,14,15)
InChIKeyVCYNAYCGCCPDRJ-UHFFFAOYSA-N
XLogP2.32
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.32
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

2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanimidamide
CID 102744138
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylbutanimidamide
CID 65252769
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 81097525
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide
CID 65252553
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide
CID 65252705
2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 65258854
2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide
CID 65250968
2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 43394133
5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 112625805
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
1-amino-6-(3,5-dimethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818763
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
CID 106712150

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide (CID 65250505) is 4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is VCYNAYCGCCPDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-10-7-11(2)9-16(8-10)6-5-13(3,4)12(14)15/h10-11H,5-9H2,1-4H3,(H3,14,15).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 225.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65250505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).