4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide

C12H25N3 — CID 107162056

IUPAC4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCC(C)C)CC1
InChIInChI=1S/C12H25N3/c1-10(2)4-7-15-8-5-12(3,6-9-15)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14)
InChIKeyWQXOLTDGPLBAIK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.07
Rot. Bonds4

About 4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide

4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide (PubChem CID 107162056) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
PubChem CID107162056
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCC(C)C)CC1
InChIInChI=1S/C12H25N3/c1-10(2)4-7-15-8-5-12(3,6-9-15)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14)
InChIKeyWQXOLTDGPLBAIK-UHFFFAOYSA-N
XLogP2.07
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide?
The IUPAC name of 4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide (CID 107162056) is 4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(CCC(C)C)CC1.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide?
The InChIKey is WQXOLTDGPLBAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)4-7-15-8-5-12(3,6-9-15)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14).
What are the key properties of 4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide?
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide has a molecular weight of 211.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide is sourced from PubChem (CID 107162056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).