3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine

C12H25NO — CID 146384373

IUPAC3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine
SMILESCCC(C)(C)CC(C)(C)NC1OC1C
InChIInChI=1S/C12H25NO/c1-7-11(3,4)8-12(5,6)13-10-9(2)14-10/h9-10,13H,7-8H2,1-6H3
InChIKeyYLBRVWVXLCFXAS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.93
Rot. Bonds5

About 3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine

3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine (PubChem CID 146384373) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine
PubChem CID146384373
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine
SMILESCCC(C)(C)CC(C)(C)NC1OC1C
InChIInChI=1S/C12H25NO/c1-7-11(3,4)8-12(5,6)13-10-9(2)14-10/h9-10,13H,7-8H2,1-6H3
InChIKeyYLBRVWVXLCFXAS-UHFFFAOYSA-N
XLogP2.93
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-(3-methylpentan-3-yl)-N-(4-methylpentyl)oxiran-2-amine
CID 90905640
3-tert-butyl-N-(3-methylpentan-3-yl)oxiran-2-amine
CID 90916969
N-(2,4-dimethylpentyl)-3-(2-methylbutyl)oxiran-2-amine
CID 91471290
N-methyl-3-(2,4,4-trimethylpentan-2-yl)oxiran-2-amine
CID 123331584
(2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine
CID 129226484
N-(5-iodo-2,4,4-trimethylpentan-2-yl)-3-propan-2-yloxiran-2-amine
CID 137390441
3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine
CID 155055696
N-ethyl-3-(2,4,4-trimethylpentan-2-yl)oxiran-2-amine
CID 166730050
N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine
CID 167218317
N-methyl-3-(2-methylpentan-2-yl)oxiran-2-amine
CID 169652288
N-hexan-3-yl-3-(3-methylpentan-3-yl)oxiran-2-amine
CID 170015306
2-propan-2-yloxy-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 105695212

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine?
The IUPAC name of 3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine (CID 146384373) is 3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine.
What is the SMILES notation for 3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine?
The canonical SMILES for 3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine is CCC(C)(C)CC(C)(C)NC1OC1C.
What is the InChIKey of 3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine?
The InChIKey is YLBRVWVXLCFXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-11(3,4)8-12(5,6)13-10-9(2)14-10/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine?
3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine is sourced from PubChem (CID 146384373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).