N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide

C10H21N3O — CID 59020720

IUPACN-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)CCCN1CCOCC1
InChIInChI=1S/C10H21N3O/c1-10(11)12(2)4-3-5-13-6-8-14-9-7-13/h11H,3-9H2,1-2H3/b11-10+
InChIKeyLLOGQTBPXDFOCO-ZHACJKMWSA-N
MW199.30 g/mol
LogP0.64
Rot. Bonds4

About N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide

N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide (PubChem CID 59020720) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide
PubChem CID59020720
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)CCCN1CCOCC1
InChIInChI=1S/C10H21N3O/c1-10(11)12(2)4-3-5-13-6-8-14-9-7-13/h11H,3-9H2,1-2H3/b11-10+
InChIKeyLLOGQTBPXDFOCO-ZHACJKMWSA-N
XLogP0.64
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
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-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide?
The IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide (CID 59020720) is N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide.
What is the SMILES notation for N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide?
The canonical SMILES for N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide is [H]/N=C(\C)N(C)CCCN1CCOCC1.
What is the InChIKey of N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide?
The InChIKey is LLOGQTBPXDFOCO-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(11)12(2)4-3-5-13-6-8-14-9-7-13/h11H,3-9H2,1-2H3/b11-10+.
What are the key properties of N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide?
N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide is sourced from PubChem (CID 59020720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).