N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine

C13H29NO2 — CID 112587358

IUPACN,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine
SMILESCCC(C)C(COCCOC(C)(C)C)NC
InChIInChI=1S/C13H29NO2/c1-7-11(2)12(14-6)10-15-8-9-16-13(3,4)5/h11-12,14H,7-10H2,1-6H3
InChIKeyRSDUELHYKMLGRO-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds8

About N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine

N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine (PubChem CID 112587358) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine
PubChem CID112587358
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine
SMILESCCC(C)C(COCCOC(C)(C)C)NC
InChIInChI=1S/C13H29NO2/c1-7-11(2)12(14-6)10-15-8-9-16-13(3,4)5/h11-12,14H,7-10H2,1-6H3
InChIKeyRSDUELHYKMLGRO-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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 N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-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

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,3-dimethylpentan-2-amine
CID 104560546
1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
CID 104560721
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 107506939
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine
CID 112587366
N,4-dimethylhexan-3-amine
CID 63559808
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
CID 112587518
3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
CID 171580547
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
2-methyl-2-[2-(2-propoxyethoxy)ethoxy]propane
CID 87735391
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 62038724

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine?
The IUPAC name of N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine (CID 112587358) is N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine?
The canonical SMILES for N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine is CCC(C)C(COCCOC(C)(C)C)NC.
What is the InChIKey of N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine?
The InChIKey is RSDUELHYKMLGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-7-11(2)12(14-6)10-15-8-9-16-13(3,4)5/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine?
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine is sourced from PubChem (CID 112587358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).