N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine

C9H19NO2 — CID 57472871

IUPACN-(1-cyclopropylethyl)-2,2-dimethoxyethanamine
SMILESCOC(CNC(C)C1CC1)OC
InChIInChI=1S/C9H19NO2/c1-7(8-4-5-8)10-6-9(11-2)12-3/h7-10H,4-6H2,1-3H3
InChIKeyWBILPWHSWSUBRK-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.99
Rot. Bonds6

About N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine

N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine (PubChem CID 57472871) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,2-dimethoxyethanamine
PubChem CID57472871
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(1-cyclopropylethyl)-2,2-dimethoxyethanamine
SMILESCOC(CNC(C)C1CC1)OC
InChIInChI=1S/C9H19NO2/c1-7(8-4-5-8)10-6-9(11-2)12-3/h7-10H,4-6H2,1-3H3
InChIKeyWBILPWHSWSUBRK-UHFFFAOYSA-N
XLogP0.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine?
The IUPAC name of N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine (CID 57472871) is N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine?
The canonical SMILES for N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine is COC(CNC(C)C1CC1)OC.
What is the InChIKey of N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine?
The InChIKey is WBILPWHSWSUBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(8-4-5-8)10-6-9(11-2)12-3/h7-10H,4-6H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine?
N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine has a molecular weight of 173.26 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,2-dimethoxyethanamine is sourced from PubChem (CID 57472871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).