1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine

C10H19N3 — CID 167020081

IUPAC1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine
SMILES[H]/N=C(\C)N1CCC(C(=C)NC)CC1
InChIInChI=1S/C10H19N3/c1-8(12-3)10-4-6-13(7-5-10)9(2)11/h10-12H,1,4-7H2,2-3H3/b11-9+
InChIKeyCMMHWJXSCQVTTL-PKNBQFBNSA-N
MW181.28 g/mol
LogP1.43
Rot. Bonds2

About 1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine

1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine (PubChem CID 167020081) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine.

Molecular Properties

Compound Name1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine
PubChem CID167020081
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine
SMILES[H]/N=C(\C)N1CCC(C(=C)NC)CC1
InChIInChI=1S/C10H19N3/c1-8(12-3)10-4-6-13(7-5-10)9(2)11/h10-12H,1,4-7H2,2-3H3/b11-9+
InChIKeyCMMHWJXSCQVTTL-PKNBQFBNSA-N
XLogP1.43
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.43
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-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine?
The IUPAC name of 1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine (CID 167020081) is 1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine.
What is the SMILES notation for 1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine?
The canonical SMILES for 1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine is [H]/N=C(\C)N1CCC(C(=C)NC)CC1.
What is the InChIKey of 1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine?
The InChIKey is CMMHWJXSCQVTTL-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(12-3)10-4-6-13(7-5-10)9(2)11/h10-12H,1,4-7H2,2-3H3/b11-9+.
What are the key properties of 1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine?
1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine has a molecular weight of 181.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethanimidoylpiperidin-4-yl)-N-methylethenamine is sourced from PubChem (CID 167020081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).