N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide

C10H20N4 — CID 139390767

IUPACN-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide
SMILES[H]/N=C(\C)N(/C(C)=N/[H])C1CCN(C)CC1
InChIInChI=1S/C10H20N4/c1-8(11)14(9(2)12)10-4-6-13(3)7-5-10/h10-12H,4-7H2,1-3H3/b11-8+,12-9+
InChIKeyYBUCBLPKPWKTQV-HZOWPXDZSA-N
MW196.30 g/mol
LogP1.38
Rot. Bonds1

About N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide

N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide (PubChem CID 139390767) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide.

Molecular Properties

Compound NameN-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide
PubChem CID139390767
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide
SMILES[H]/N=C(\C)N(/C(C)=N/[H])C1CCN(C)CC1
InChIInChI=1S/C10H20N4/c1-8(11)14(9(2)12)10-4-6-13(3)7-5-10/h10-12H,4-7H2,1-3H3/b11-8+,12-9+
InChIKeyYBUCBLPKPWKTQV-HZOWPXDZSA-N
XLogP1.38
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide?
The IUPAC name of N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide (CID 139390767) is N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide.
What is the SMILES notation for N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide?
The canonical SMILES for N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide is [H]/N=C(\C)N(/C(C)=N/[H])C1CCN(C)CC1.
What is the InChIKey of N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide?
The InChIKey is YBUCBLPKPWKTQV-HZOWPXDZSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(11)14(9(2)12)10-4-6-13(3)7-5-10/h10-12H,4-7H2,1-3H3/b11-8+,12-9+.
What are the key properties of N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide?
N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide has a molecular weight of 196.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide is sourced from PubChem (CID 139390767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).