2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine

C10H21N3 — CID 59020761

IUPAC2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine
SMILES[H]/N=C(\C)N1CCC(C(C)(C)N)CC1
InChIInChI=1S/C10H21N3/c1-8(11)13-6-4-9(5-7-13)10(2,3)12/h9,11H,4-7,12H2,1-3H3/b11-8+
InChIKeySLSPPEAVPZOAKR-DHZHZOJOSA-N
MW183.30 g/mol
LogP1.43
Rot. Bonds1

About 2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine

2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine (PubChem CID 59020761) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine
PubChem CID59020761
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine
SMILES[H]/N=C(\C)N1CCC(C(C)(C)N)CC1
InChIInChI=1S/C10H21N3/c1-8(11)13-6-4-9(5-7-13)10(2,3)12/h9,11H,4-7,12H2,1-3H3/b11-8+
InChIKeySLSPPEAVPZOAKR-DHZHZOJOSA-N
XLogP1.43
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
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 2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine?
The IUPAC name of 2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine (CID 59020761) is 2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine.
What is the SMILES notation for 2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine?
The canonical SMILES for 2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine is [H]/N=C(\C)N1CCC(C(C)(C)N)CC1.
What is the InChIKey of 2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine?
The InChIKey is SLSPPEAVPZOAKR-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(11)13-6-4-9(5-7-13)10(2,3)12/h9,11H,4-7,12H2,1-3H3/b11-8+.
What are the key properties of 2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine?
2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine has a molecular weight of 183.30 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethanimidoylpiperidin-4-yl)propan-2-amine is sourced from PubChem (CID 59020761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).