[[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol

C14H29NO2 — CID 130435972

IUPAC[[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol
SMILESCCC(C)(C)C(CC(C)(C)C)C1OC1NCO
InChIInChI=1S/C14H29NO2/c1-7-14(5,6)10(8-13(2,3)4)11-12(17-11)15-9-16/h10-12,15-16H,7-9H2,1-6H3
InChIKeyJUZOEPDZEJENJP-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds6

About [[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol

[[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol (PubChem CID 130435972) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol.

Molecular Properties

Compound Name[[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol
PubChem CID130435972
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol
SMILESCCC(C)(C)C(CC(C)(C)C)C1OC1NCO
InChIInChI=1S/C14H29NO2/c1-7-14(5,6)10(8-13(2,3)4)11-12(17-11)15-9-16/h10-12,15-16H,7-9H2,1-6H3
InChIKeyJUZOEPDZEJENJP-UHFFFAOYSA-N
XLogP2.74
TPSA44.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
[2-(2,2-dimethylpropyl)-3,3-dimethylpentyl]-trimethylsilane
CID 123719554
2,2-dimethylbutane;propane;2,3,3-trimethylpentane
CID 91438439
2,2,4,5,5,6,6,8,9,9-decamethylundecane
CID 144640849
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
bis(2,2-dimethylbutane);tungsten
CID 157126936
4,4-dimethylhexan-3-ylcyclohexane;methane
CID 170707005
2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol
CID 170852286
(2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane
CID 89066195
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
CID 115721192
1-methoxy-2,2-dimethylbutan-1-ol
CID 20675645
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
CID 107151993

Frequently Asked Questions

What is the IUPAC name of [[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol?
The IUPAC name of [[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol (CID 130435972) is [[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol.
What is the SMILES notation for [[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol?
The canonical SMILES for [[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol is CCC(C)(C)C(CC(C)(C)C)C1OC1NCO.
What is the InChIKey of [[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol?
The InChIKey is JUZOEPDZEJENJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-14(5,6)10(8-13(2,3)4)11-12(17-11)15-9-16/h10-12,15-16H,7-9H2,1-6H3.
What are the key properties of [[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol?
[[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol has a molecular weight of 243.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(2,2,5,5-tetramethylheptan-4-yl)oxiran-2-yl]amino]methanol is sourced from PubChem (CID 130435972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).