(1-ethanimidoylpiperidin-4-yl)methanamine

C8H17N3 — CID 59020898

IUPAC(1-ethanimidoylpiperidin-4-yl)methanamine
SMILES[H]/N=C(\C)N1CCC(CN)CC1
InChIInChI=1S/C8H17N3/c1-7(10)11-4-2-8(6-9)3-5-11/h8,10H,2-6,9H2,1H3/b10-7+
InChIKeyQHLRGFIRHOSQIN-JXMROGBWSA-N
MW155.25 g/mol
LogP0.65
Rot. Bonds1

About (1-ethanimidoylpiperidin-4-yl)methanamine

(1-ethanimidoylpiperidin-4-yl)methanamine (PubChem CID 59020898) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is (1-ethanimidoylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-ethanimidoylpiperidin-4-yl)methanamine
PubChem CID59020898
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name(1-ethanimidoylpiperidin-4-yl)methanamine
SMILES[H]/N=C(\C)N1CCC(CN)CC1
InChIInChI=1S/C8H17N3/c1-7(10)11-4-2-8(6-9)3-5-11/h8,10H,2-6,9H2,1H3/b10-7+
InChIKeyQHLRGFIRHOSQIN-JXMROGBWSA-N
XLogP0.65
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.65
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 (1-ethanimidoylpiperidin-4-yl)methanamine?
The IUPAC name of (1-ethanimidoylpiperidin-4-yl)methanamine (CID 59020898) is (1-ethanimidoylpiperidin-4-yl)methanamine.
What is the SMILES notation for (1-ethanimidoylpiperidin-4-yl)methanamine?
The canonical SMILES for (1-ethanimidoylpiperidin-4-yl)methanamine is [H]/N=C(\C)N1CCC(CN)CC1.
What is the InChIKey of (1-ethanimidoylpiperidin-4-yl)methanamine?
The InChIKey is QHLRGFIRHOSQIN-JXMROGBWSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(10)11-4-2-8(6-9)3-5-11/h8,10H,2-6,9H2,1H3/b10-7+.
What are the key properties of (1-ethanimidoylpiperidin-4-yl)methanamine?
(1-ethanimidoylpiperidin-4-yl)methanamine has a molecular weight of 155.25 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethanimidoylpiperidin-4-yl)methanamine is sourced from PubChem (CID 59020898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).