3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine

C13H29NO2 — CID 106666319

IUPAC3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCOC(C)(C)CCOCC(C)CNC(C)C
InChIInChI=1S/C13H29NO2/c1-11(2)14-9-12(3)10-16-8-7-13(4,5)15-6/h11-12,14H,7-10H2,1-6H3
InChIKeyPCIOHVLTKICWTE-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds9

About 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine

3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 106666319) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID106666319
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCOC(C)(C)CCOCC(C)CNC(C)C
InChIInChI=1S/C13H29NO2/c1-11(2)14-9-12(3)10-16-8-7-13(4,5)15-6/h11-12,14H,7-10H2,1-6H3
InChIKeyPCIOHVLTKICWTE-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-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

(3S)-4-(3-methoxy-3-methylbutoxy)-3-methylbutanal
CID 59869395
3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide
CID 106666791
(2R)-3-methoxy-2-methylpropan-1-amine;(2R)-3-methoxy-2-methyl-N-propan-2-ylpropan-1-amine
CID 161351660
1-chloro-3-(3-methoxy-3-methylbutoxy)propan-2-ol
CID 106665499
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
2-chloro-3-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668319
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
CID 103036807
2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456797
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106666736
2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 62530891
6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
CID 103019805
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine (CID 106666319) is 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine is COC(C)(C)CCOCC(C)CNC(C)C.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is PCIOHVLTKICWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-11(2)14-9-12(3)10-16-8-7-13(4,5)15-6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106666319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).