propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate

C13H27NO2 — CID 20706642

IUPACpropan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate
SMILESCC(C)OC(=O)NCCC(C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)16-11(15)14-9-8-13(6,7)12(3,4)5/h10H,8-9H2,1-7H3,(H,14,15)
InChIKeyBSAOBWSFHQUZCS-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.58
Rot. Bonds4

About propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate

propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate (PubChem CID 20706642) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate
PubChem CID20706642
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Namepropan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate
SMILESCC(C)OC(=O)NCCC(C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)16-11(15)14-9-8-13(6,7)12(3,4)5/h10H,8-9H2,1-7H3,(H,14,15)
InChIKeyBSAOBWSFHQUZCS-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate?
The IUPAC name of propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate (CID 20706642) is propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate?
The canonical SMILES for propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate is CC(C)OC(=O)NCCC(C)(C)C(C)(C)C.
What is the InChIKey of propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate?
The InChIKey is BSAOBWSFHQUZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)16-11(15)14-9-8-13(6,7)12(3,4)5/h10H,8-9H2,1-7H3,(H,14,15).
What are the key properties of propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate?
propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate has a molecular weight of 229.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate is sourced from PubChem (CID 20706642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).