2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid

C13H27NO2 — CID 175144681

IUPAC2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid
SMILESCCCC(C)(CC)N(C(=O)O)C(C)(C)CC
InChIInChI=1S/C13H27NO2/c1-7-10-13(6,9-3)14(11(15)16)12(4,5)8-2/h7-10H2,1-6H3,(H,15,16)
InChIKeyUSRNICQSPUCQCN-UHFFFAOYSA-N
MW229.36 g/mol
LogP4.12
Rot. Bonds6

About 2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid

2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid (PubChem CID 175144681) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid.

Molecular Properties

Compound Name2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid
PubChem CID175144681
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid
SMILESCCCC(C)(CC)N(C(=O)O)C(C)(C)CC
InChIInChI=1S/C13H27NO2/c1-7-10-13(6,9-3)14(11(15)16)12(4,5)8-2/h7-10H2,1-6H3,(H,15,16)
InChIKeyUSRNICQSPUCQCN-UHFFFAOYSA-N
XLogP4.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,5,5-Tetramethylpyrrolidinecarboxylic acid
CID 17956662
Bis(2-methylbutan-2-yl)carbamic acid
CID 87717839
Bis(2,4-dimethylpentan-2-yl)carbamic acid
CID 88375773
Bis(2,4,4-trimethylpentan-2-yl)carbamic acid
CID 117824326
Lithium;hydride;2,2,5,5-tetramethylpyrrolidine-1-carboxylic acid
CID 173566955
Methyl(3-methylhexan-3-yl)carbamic acid
CID 175267740
(4-Ethyl-3,4-dimethylhexan-3-yl)-(3-methylpentan-3-yl)carbamic acid
CID 175357745
N-ethyl-N-(3-methylhexan-3-yl)carbamate
CID 57359337
Ethyl(3-methylhexan-3-yl)carbamic acid
CID 57359338

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid?
The IUPAC name of 2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid (CID 175144681) is 2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid.
What is the SMILES notation for 2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid?
The canonical SMILES for 2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid is CCCC(C)(CC)N(C(=O)O)C(C)(C)CC.
What is the InChIKey of 2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid?
The InChIKey is USRNICQSPUCQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-10-13(6,9-3)14(11(15)16)12(4,5)8-2/h7-10H2,1-6H3,(H,15,16).
What are the key properties of 2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid?
2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid has a molecular weight of 229.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid is sourced from PubChem (CID 175144681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).