4-(2-methylpiperidin-1-yl)butanimidamide

C10H21N3 — CID 24697505

IUPAC4-(2-methylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCCCC1C
InChIInChI=1S/C10H21N3/c1-9-5-2-3-7-13(9)8-4-6-10(11)12/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyUYNBJIYNLITMSQ-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.58
Rot. Bonds4

About 4-(2-methylpiperidin-1-yl)butanimidamide

4-(2-methylpiperidin-1-yl)butanimidamide (PubChem CID 24697505) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)butanimidamide
PubChem CID24697505
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name4-(2-methylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCCCC1C
InChIInChI=1S/C10H21N3/c1-9-5-2-3-7-13(9)8-4-6-10(11)12/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyUYNBJIYNLITMSQ-UHFFFAOYSA-N
XLogP1.58
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.58
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-(2-methylpiperidin-1-yl)butanimidamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)butanimidamide (CID 24697505) is 4-(2-methylpiperidin-1-yl)butanimidamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)butanimidamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)butanimidamide is [H]/N=C(\N)CCCN1CCCCC1C.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)butanimidamide?
The InChIKey is UYNBJIYNLITMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-9-5-2-3-7-13(9)8-4-6-10(11)12/h9H,2-8H2,1H3,(H3,11,12).
What are the key properties of 4-(2-methylpiperidin-1-yl)butanimidamide?
4-(2-methylpiperidin-1-yl)butanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)butanimidamide is sourced from PubChem (CID 24697505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).