3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine

C14H31NO3 — CID 88578913

IUPAC3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine
SMILESCOCCC(C)(C)OCCC(C)(C)OCCCN
InChIInChI=1S/C14H31NO3/c1-13(2,7-11-16-5)18-12-8-14(3,4)17-10-6-9-15/h6-12,15H2,1-5H3
InChIKeyMQVLVRSJGSQAGN-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.35
Rot. Bonds11

About 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine

3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine (PubChem CID 88578913) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine
PubChem CID88578913
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine
SMILESCOCCC(C)(C)OCCC(C)(C)OCCCN
InChIInChI=1S/C14H31NO3/c1-13(2,7-11-16-5)18-12-8-14(3,4)17-10-6-9-15/h6-12,15H2,1-5H3
InChIKeyMQVLVRSJGSQAGN-UHFFFAOYSA-N
XLogP2.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-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

4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine
CID 90861062
3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine
CID 126734021
2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde
CID 166753432
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methyl-N-[2-[2-methyl-4-[2-methyl-5-[2-[2-methyl-4-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentan-2-yl]oxybutan-2-yl]oxyethyl]pentanamide
CID 138710128
azane;3-methoxypropan-1-amine
CID 172866087
3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine
CID 143332737
2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol
CID 174354791
4-methyl-4-[3-methyl-3-(3-sulfanylpropoxy)butoxy]pentane-1-thiol
CID 87919803

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine?
The IUPAC name of 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine (CID 88578913) is 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine?
The canonical SMILES for 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine is COCCC(C)(C)OCCC(C)(C)OCCCN.
What is the InChIKey of 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine?
The InChIKey is MQVLVRSJGSQAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-13(2,7-11-16-5)18-12-8-14(3,4)17-10-6-9-15/h6-12,15H2,1-5H3.
What are the key properties of 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine?
3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.35, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine is sourced from PubChem (CID 88578913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).