2,2-dimethylhexan-3-yl N-methylcarbamate

C10H21NO2 — CID 175749324

IUPAC2,2-dimethylhexan-3-yl N-methylcarbamate
SMILESCCCC(OC(=O)NC)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-7-8(10(2,3)4)13-9(12)11-5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyKZOLHCJOBPILNL-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.56
Rot. Bonds3

About 2,2-dimethylhexan-3-yl N-methylcarbamate

2,2-dimethylhexan-3-yl N-methylcarbamate (PubChem CID 175749324) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2,2-dimethylhexan-3-yl N-methylcarbamate.

Molecular Properties

Compound Name2,2-dimethylhexan-3-yl N-methylcarbamate
PubChem CID175749324
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2,2-dimethylhexan-3-yl N-methylcarbamate
SMILESCCCC(OC(=O)NC)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-7-8(10(2,3)4)13-9(12)11-5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyKZOLHCJOBPILNL-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethylhexan-3-yl N-methylsulfonylcarbamate
CID 175168150
pentan-2-yl N-methylcarbamate
CID 87800864
2,2-dimethylhexan-3-yl piperazine-1-carboxylate
CID 175815633
(2-hydroxy-2-methylhexan-3-yl) acetate
CID 140977252
2,2-dimethylheptan-3-yl carbamate
CID 175434709
bis(2,2-dimethylheptan-3-yl) hexanedioate
CID 10222539
2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate
CID 175378357
2,2-dimethylhexan-3-yl 2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoate
CID 162691124
2,2-dimethylhexan-3-yl 3-oxopiperazine-1-carboxylate
CID 169260496
(1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate
CID 130454785
1-hydroxyethyl N-methylcarbamate
CID 21270273
bis(2,2-dimethylhexan-3-yl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 175349118

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexan-3-yl N-methylcarbamate?
The IUPAC name of 2,2-dimethylhexan-3-yl N-methylcarbamate (CID 175749324) is 2,2-dimethylhexan-3-yl N-methylcarbamate.
What is the SMILES notation for 2,2-dimethylhexan-3-yl N-methylcarbamate?
The canonical SMILES for 2,2-dimethylhexan-3-yl N-methylcarbamate is CCCC(OC(=O)NC)C(C)(C)C.
What is the InChIKey of 2,2-dimethylhexan-3-yl N-methylcarbamate?
The InChIKey is KZOLHCJOBPILNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-7-8(10(2,3)4)13-9(12)11-5/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of 2,2-dimethylhexan-3-yl N-methylcarbamate?
2,2-dimethylhexan-3-yl N-methylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexan-3-yl N-methylcarbamate is sourced from PubChem (CID 175749324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).