N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine

C13H27NO2 — CID 91465673

IUPACN-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine
SMILESCOC(C)(C)CCNC1OC1C(C)C(C)C
InChIInChI=1S/C13H27NO2/c1-9(2)10(3)11-12(16-11)14-8-7-13(4,5)15-6/h9-12,14H,7-8H2,1-6H3
InChIKeyMAGYGYLRDQCLBR-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.41
Rot. Bonds7

About N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine

N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine (PubChem CID 91465673) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine
PubChem CID91465673
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine
SMILESCOC(C)(C)CCNC1OC1C(C)C(C)C
InChIInChI=1S/C13H27NO2/c1-9(2)10(3)11-12(16-11)14-8-7-13(4,5)15-6/h9-12,14H,7-8H2,1-6H3
InChIKeyMAGYGYLRDQCLBR-UHFFFAOYSA-N
XLogP2.41
TPSA33.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxy-3-methylbutyl)-2,2-dimethylcyclopropan-1-amine
CID 103033275
7-bromo-2-methoxy-2,8-dimethylnonane
CID 103037609
2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
2-cyclopropyl-N-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103581014
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935
1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
CID 103019940
N-(3-methoxy-3-methylbutyl)adamantan-2-amine
CID 106675234
4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
CID 103037173
N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 106675441
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine (CID 91465673) is N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine is COC(C)(C)CCNC1OC1C(C)C(C)C.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine?
The InChIKey is MAGYGYLRDQCLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-9(2)10(3)11-12(16-11)14-8-7-13(4,5)15-6/h9-12,14H,7-8H2,1-6H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine?
N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine is sourced from PubChem (CID 91465673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).