N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine

C9H20N2O — CID 167009908

IUPACN-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine
SMILESCN(C)CCOCN(C)C1CC1
InChIInChI=1S/C9H20N2O/c1-10(2)6-7-12-8-11(3)9-4-5-9/h9H,4-8H2,1-3H3
InChIKeyLICCWQJQYMAYBU-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.62
Rot. Bonds6

About N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine

N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine (PubChem CID 167009908) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine
PubChem CID167009908
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine
SMILESCN(C)CCOCN(C)C1CC1
InChIInChI=1S/C9H20N2O/c1-10(2)6-7-12-8-11(3)9-4-5-9/h9H,4-8H2,1-3H3
InChIKeyLICCWQJQYMAYBU-UHFFFAOYSA-N
XLogP0.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine (CID 167009908) is N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine is CN(C)CCOCN(C)C1CC1.
What is the InChIKey of N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine?
The InChIKey is LICCWQJQYMAYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10(2)6-7-12-8-11(3)9-4-5-9/h9H,4-8H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine?
N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine has a molecular weight of 172.27 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 167009908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).