N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide

C10H18BrNO2 — CID 115194315

IUPACN-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide
SMILESCC(C)(CNC(=O)Br)C1CCOCC1
InChIInChI=1S/C10H18BrNO2/c1-10(2,7-12-9(11)13)8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyWWBOIMDJIKSHLR-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.54
Rot. Bonds3

About N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide

N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide (PubChem CID 115194315) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide.

Molecular Properties

Compound NameN-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide
PubChem CID115194315
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC NameN-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide
SMILESCC(C)(CNC(=O)Br)C1CCOCC1
InChIInChI=1S/C10H18BrNO2/c1-10(2,7-12-9(11)13)8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyWWBOIMDJIKSHLR-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide
CID 115159157
2-methyl-3-[[2-methyl-2-(oxan-4-yl)propyl]amino]-3-oxopropanoic acid
CID 115164424
1-(hydroxymethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclopropane-1-carboxamide
CID 115182500
N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide
CID 115159666
1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
CID 115183609
methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate
CID 115233259
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
4-(2-methylbutan-2-yl)oxane
CID 91527752
3-methyl-1-[[2-methyl-2-(oxan-4-yl)propyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 167969968
N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 136566826
3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol
CID 115252302
1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 136566830

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide?
The IUPAC name of N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide (CID 115194315) is N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide.
What is the SMILES notation for N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide?
The canonical SMILES for N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide is CC(C)(CNC(=O)Br)C1CCOCC1.
What is the InChIKey of N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide?
The InChIKey is WWBOIMDJIKSHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-10(2,7-12-9(11)13)8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide?
N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide has a molecular weight of 264.16 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide is sourced from PubChem (CID 115194315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).