(4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate

C12H25NO2 — CID 58165200

IUPAC(4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate
SMILESCCNC(=O)OC(C)C(C(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-7-13-12(14)15-10(6)11(8(2)3)9(4)5/h8-11H,7H2,1-6H3,(H,13,14)
InChIKeyISTNMBHRTLDLDU-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.05
Rot. Bonds5

About (4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate

(4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate (PubChem CID 58165200) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate.

Molecular Properties

Compound Name(4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate
PubChem CID58165200
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate
SMILESCCNC(=O)OC(C)C(C(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-7-13-12(14)15-10(6)11(8(2)3)9(4)5/h8-11H,7H2,1-6H3,(H,13,14)
InChIKeyISTNMBHRTLDLDU-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate?
The IUPAC name of (4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate (CID 58165200) is (4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate.
What is the SMILES notation for (4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate?
The canonical SMILES for (4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate is CCNC(=O)OC(C)C(C(C)C)C(C)C.
What is the InChIKey of (4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate?
The InChIKey is ISTNMBHRTLDLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-13-12(14)15-10(6)11(8(2)3)9(4)5/h8-11H,7H2,1-6H3,(H,13,14).
What are the key properties of (4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate?
(4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate has a molecular weight of 215.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-propan-2-ylpentan-2-yl) N-ethylcarbamate is sourced from PubChem (CID 58165200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).