1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine

C12H25NO — CID 106797811

IUPAC1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine
SMILESCCNC(C)C1(CCCOCC)CC1
InChIInChI=1S/C12H25NO/c1-4-13-11(3)12(8-9-12)7-6-10-14-5-2/h11,13H,4-10H2,1-3H3
InChIKeyQYSHWJJJNMHCID-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds8

About 1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine

1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine (PubChem CID 106797811) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine
PubChem CID106797811
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine
SMILESCCNC(C)C1(CCCOCC)CC1
InChIInChI=1S/C12H25NO/c1-4-13-11(3)12(8-9-12)7-6-10-14-5-2/h11,13H,4-10H2,1-3H3
InChIKeyQYSHWJJJNMHCID-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine?
The IUPAC name of 1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine (CID 106797811) is 1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine is CCNC(C)C1(CCCOCC)CC1.
What is the InChIKey of 1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine?
The InChIKey is QYSHWJJJNMHCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-13-11(3)12(8-9-12)7-6-10-14-5-2/h11,13H,4-10H2,1-3H3.
What are the key properties of 1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine?
1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)cyclopropyl]-N-ethylethanamine is sourced from PubChem (CID 106797811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).