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

C11H23N3 — CID 21018807

IUPAC4-(3-methylbutyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CCC(C)C)CC1
InChIInChI=1S/C11H23N3/c1-9(2)3-4-10-5-7-14(8-6-10)11(12)13/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyWQMHOVRPCNPKQN-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.03
Rot. Bonds3

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

4-(3-methylbutyl)piperidine-1-carboximidamide (PubChem CID 21018807) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 4-(3-methylbutyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(3-methylbutyl)piperidine-1-carboximidamide
PubChem CID21018807
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name4-(3-methylbutyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CCC(C)C)CC1
InChIInChI=1S/C11H23N3/c1-9(2)3-4-10-5-7-14(8-6-10)11(12)13/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyWQMHOVRPCNPKQN-UHFFFAOYSA-N
XLogP2.03
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(3-methylbutyl)piperidine-1-carboximidamide (CID 21018807) is 4-(3-methylbutyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(3-methylbutyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(3-methylbutyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CCC(C)C)CC1.
What is the InChIKey of 4-(3-methylbutyl)piperidine-1-carboximidamide?
The InChIKey is WQMHOVRPCNPKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)3-4-10-5-7-14(8-6-10)11(12)13/h9-10H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 4-(3-methylbutyl)piperidine-1-carboximidamide?
4-(3-methylbutyl)piperidine-1-carboximidamide has a molecular weight of 197.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)piperidine-1-carboximidamide is sourced from PubChem (CID 21018807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).