N-(3-ethoxypropyl)-2-methoxypropan-1-amine

C9H21NO2 — CID 62565576

IUPACN-(3-ethoxypropyl)-2-methoxypropan-1-amine
SMILESCCOCCCNCC(C)OC
InChIInChI=1S/C9H21NO2/c1-4-12-7-5-6-10-8-9(2)11-3/h9-10H,4-8H2,1-3H3
InChIKeyYMESVLALKRAJIS-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.04
Rot. Bonds8

About N-(3-ethoxypropyl)-2-methoxypropan-1-amine

N-(3-ethoxypropyl)-2-methoxypropan-1-amine (PubChem CID 62565576) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methoxypropan-1-amine
PubChem CID62565576
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN-(3-ethoxypropyl)-2-methoxypropan-1-amine
SMILESCCOCCCNCC(C)OC
InChIInChI=1S/C9H21NO2/c1-4-12-7-5-6-10-8-9(2)11-3/h9-10H,4-8H2,1-3H3
InChIKeyYMESVLALKRAJIS-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-2-methoxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
2-cyclobutyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 62582894
2-cyclopentyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 62564975
N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 106668147
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458
2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669
2-cyclohexyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 55088192
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62558324

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methoxypropan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-methoxypropan-1-amine (CID 62565576) is N-(3-ethoxypropyl)-2-methoxypropan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methoxypropan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-methoxypropan-1-amine is CCOCCCNCC(C)OC.
What is the InChIKey of N-(3-ethoxypropyl)-2-methoxypropan-1-amine?
The InChIKey is YMESVLALKRAJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-12-7-5-6-10-8-9(2)11-3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-methoxypropan-1-amine?
N-(3-ethoxypropyl)-2-methoxypropan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methoxypropan-1-amine is sourced from PubChem (CID 62565576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).