azane;2,3,4-trimethylpentan-3-yl acetate

C10H23NO2 — CID 87190054

IUPACazane;2,3,4-trimethylpentan-3-yl acetate
SMILESCC(=O)OC(C)(C(C)C)C(C)C.N
InChIInChI=1S/C10H20O2.H3N/c1-7(2)10(6,8(3)4)12-9(5)11;/h7-8H,1-6H3;1H3
InChIKeyAMLYZMHCWCHQMN-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.78
Rot. Bonds3

About azane;2,3,4-trimethylpentan-3-yl acetate

azane;2,3,4-trimethylpentan-3-yl acetate (PubChem CID 87190054) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is azane;2,3,4-trimethylpentan-3-yl acetate.

Molecular Properties

Compound Nameazane;2,3,4-trimethylpentan-3-yl acetate
PubChem CID87190054
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameazane;2,3,4-trimethylpentan-3-yl acetate
SMILESCC(=O)OC(C)(C(C)C)C(C)C.N
InChIInChI=1S/C10H20O2.H3N/c1-7(2)10(6,8(3)4)12-9(5)11;/h7-8H,1-6H3;1H3
InChIKeyAMLYZMHCWCHQMN-UHFFFAOYSA-N
XLogP2.78
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-methylbutan-2-yl) acetate
CID 140983582
tert-butyl acetate
CID 159704758
(2-acetyloxy-1,1,1-trihydroxypropan-2-yl) acetate
CID 87642974
tert-butyl acetate;2,2-difluoropropane;2-methylpropane
CID 158638255
(3-fluoro-2-methylbutan-2-yl) acetate
CID 153406673
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269
1,1,2,2,2-pentaacetyloxyethyl acetate
CID 71773968
3-methoxy-3,4-dimethylpentan-2-one
CID 83225040
1,1-diaminoethyl acetate
CID 87732493
2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate
CID 142775471
2,3,4-trimethylpentan-3-yl 2-methylidenebutanoate
CID 156770773

Frequently Asked Questions

What is the IUPAC name of azane;2,3,4-trimethylpentan-3-yl acetate?
The IUPAC name of azane;2,3,4-trimethylpentan-3-yl acetate (CID 87190054) is azane;2,3,4-trimethylpentan-3-yl acetate.
What is the SMILES notation for azane;2,3,4-trimethylpentan-3-yl acetate?
The canonical SMILES for azane;2,3,4-trimethylpentan-3-yl acetate is CC(=O)OC(C)(C(C)C)C(C)C.N.
What is the InChIKey of azane;2,3,4-trimethylpentan-3-yl acetate?
The InChIKey is AMLYZMHCWCHQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.H3N/c1-7(2)10(6,8(3)4)12-9(5)11;/h7-8H,1-6H3;1H3.
What are the key properties of azane;2,3,4-trimethylpentan-3-yl acetate?
azane;2,3,4-trimethylpentan-3-yl acetate has a molecular weight of 189.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3,4-trimethylpentan-3-yl acetate is sourced from PubChem (CID 87190054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).