N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide

C10H21N3O — CID 139527717

IUPACN-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide
SMILES[H]/N=C(\C)N(/C(COC)=N/[H])C(CC)CC
InChIInChI=1S/C10H21N3O/c1-5-9(6-2)13(8(3)11)10(12)7-14-4/h9,11-12H,5-7H2,1-4H3/b11-8+,12-10+
InChIKeyCRXAQNBUVUSRCH-TXSAMIJNSA-N
MW199.30 g/mol
LogP2.10
Rot. Bonds5

About N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide

N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide (PubChem CID 139527717) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide.

Molecular Properties

Compound NameN-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide
PubChem CID139527717
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide
SMILES[H]/N=C(\C)N(/C(COC)=N/[H])C(CC)CC
InChIInChI=1S/C10H21N3O/c1-5-9(6-2)13(8(3)11)10(12)7-14-4/h9,11-12H,5-7H2,1-4H3/b11-8+,12-10+
InChIKeyCRXAQNBUVUSRCH-TXSAMIJNSA-N
XLogP2.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.10
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-2-methoxy-N-pentan-3-ylethanimidamide?
The IUPAC name of N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide (CID 139527717) is N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide.
What is the SMILES notation for N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide?
The canonical SMILES for N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide is [H]/N=C(\C)N(/C(COC)=N/[H])C(CC)CC.
What is the InChIKey of N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide?
The InChIKey is CRXAQNBUVUSRCH-TXSAMIJNSA-N. The full InChI is InChI=1S/C10H21N3O/c1-5-9(6-2)13(8(3)11)10(12)7-14-4/h9,11-12H,5-7H2,1-4H3/b11-8+,12-10+.
What are the key properties of N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide?
N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide has a molecular weight of 199.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoyl-2-methoxy-N-pentan-3-ylethanimidamide is sourced from PubChem (CID 139527717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).