3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine

C12H27NO2 — CID 103033527

IUPAC3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
SMILESCCCOCCCNCCC(C)(C)OC
InChIInChI=1S/C12H27NO2/c1-5-10-15-11-6-8-13-9-7-12(2,3)14-4/h13H,5-11H2,1-4H3
InChIKeyNDBRUAOTVGWKFG-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds10

About 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine

3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine (PubChem CID 103033527) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
PubChem CID103033527
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
SMILESCCCOCCCNCCC(C)(C)OC
InChIInChI=1S/C12H27NO2/c1-5-10-15-11-6-8-13-9-7-12(2,3)14-4/h13H,5-11H2,1-4H3
InChIKeyNDBRUAOTVGWKFG-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-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)-3-methoxy-3-methylbutan-1-amine
CID 103033107
3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
CID 106675103
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
CID 106668200
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N-(2-fluoroethyl)-3-propoxypropan-1-amine
CID 82942102
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine (CID 103033527) is 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine is CCCOCCCNCCC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine?
The InChIKey is NDBRUAOTVGWKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-10-15-11-6-8-13-9-7-12(2,3)14-4/h13H,5-11H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine?
3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine is sourced from PubChem (CID 103033527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).