N-(1-ethoxyethyl)propan-1-amine

C7H17NO — CID 23317827

IUPACN-(1-ethoxyethyl)propan-1-amine
SMILESCCCNC(C)OCC
InChIInChI=1S/C7H17NO/c1-4-6-8-7(3)9-5-2/h7-8H,4-6H2,1-3H3
InChIKeyHENIOOSGTYLUSR-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.37
Rot. Bonds5

About N-(1-ethoxyethyl)propan-1-amine

N-(1-ethoxyethyl)propan-1-amine (PubChem CID 23317827) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-(1-ethoxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-ethoxyethyl)propan-1-amine
PubChem CID23317827
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-(1-ethoxyethyl)propan-1-amine
SMILESCCCNC(C)OCC
InChIInChI=1S/C7H17NO/c1-4-6-8-7(3)9-5-2/h7-8H,4-6H2,1-3H3
InChIKeyHENIOOSGTYLUSR-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethoxyethyl)propan-1-amine?
The IUPAC name of N-(1-ethoxyethyl)propan-1-amine (CID 23317827) is N-(1-ethoxyethyl)propan-1-amine.
What is the SMILES notation for N-(1-ethoxyethyl)propan-1-amine?
The canonical SMILES for N-(1-ethoxyethyl)propan-1-amine is CCCNC(C)OCC.
What is the InChIKey of N-(1-ethoxyethyl)propan-1-amine?
The InChIKey is HENIOOSGTYLUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-6-8-7(3)9-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of N-(1-ethoxyethyl)propan-1-amine?
N-(1-ethoxyethyl)propan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyethyl)propan-1-amine is sourced from PubChem (CID 23317827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).