3-methoxy-N-(2-methylpropoxy)propan-1-amine

C8H19NO2 — CID 82714387

IUPAC3-methoxy-N-(2-methylpropoxy)propan-1-amine
SMILESCOCCCNOCC(C)C
InChIInChI=1S/C8H19NO2/c1-8(2)7-11-9-5-4-6-10-3/h8-9H,4-7H2,1-3H3
InChIKeyQJVQLHUVNANSDV-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.20
Rot. Bonds7

About 3-methoxy-N-(2-methylpropoxy)propan-1-amine

3-methoxy-N-(2-methylpropoxy)propan-1-amine (PubChem CID 82714387) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methylpropoxy)propan-1-amine
PubChem CID82714387
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name3-methoxy-N-(2-methylpropoxy)propan-1-amine
SMILESCOCCCNOCC(C)C
InChIInChI=1S/C8H19NO2/c1-8(2)7-11-9-5-4-6-10-3/h8-9H,4-7H2,1-3H3
InChIKeyQJVQLHUVNANSDV-UHFFFAOYSA-N
XLogP1.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-(2-methylpropoxy)propan-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

2-(3-methoxypropoxy)-N-(2-methylpropoxy)ethanamine
CID 103179336
4,4,4-trifluoro-N-(2-methylpropoxy)butan-1-amine
CID 82714513
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
N-(2-methoxyethoxy)-3-methylbutan-1-amine
CID 82711034
5-(2-methylpropoxyamino)pentanoic acid
CID 103261565
N-(2-methylpropoxy)hept-6-en-1-amine
CID 107007042
2-[2-(2-methylpropoxyamino)ethoxy]ethanol
CID 82715522
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
methyl 3-(2-methylpropoxyamino)propanoate
CID 82715640
2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine
CID 82715409
N-(2-methylpropoxy)-3-phenylpropan-1-amine
CID 82709921
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylpropoxy)propan-1-amine?
The IUPAC name of 3-methoxy-N-(2-methylpropoxy)propan-1-amine (CID 82714387) is 3-methoxy-N-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-methylpropoxy)propan-1-amine is COCCCNOCC(C)C.
What is the InChIKey of 3-methoxy-N-(2-methylpropoxy)propan-1-amine?
The InChIKey is QJVQLHUVNANSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-8(2)7-11-9-5-4-6-10-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-N-(2-methylpropoxy)propan-1-amine?
3-methoxy-N-(2-methylpropoxy)propan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 82714387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).