N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide

C12H22BrNO — CID 106356177

IUPACN-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC(CCBr)C(C)(C)C
InChIInChI=1S/C12H22BrNO/c1-8-7-9(8)11(15)14-10(5-6-13)12(2,3)4/h8-10H,5-7H2,1-4H3,(H,14,15)
InChIKeyZJBFKWWEVFVIPD-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.96
Rot. Bonds4

About N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide

N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 106356177) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID106356177
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC(CCBr)C(C)(C)C
InChIInChI=1S/C12H22BrNO/c1-8-7-9(8)11(15)14-10(5-6-13)12(2,3)4/h8-10H,5-7H2,1-4H3,(H,14,15)
InChIKeyZJBFKWWEVFVIPD-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114177972
N-(1-bromobutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 114307790
N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide
CID 106356146
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110
trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 130725617
N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103940908
N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide
CID 106117840
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
CID 106357091
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 106355534
N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
CID 106353098
3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]-3-sulfanylbutanoic acid
CID 16775068
2-(2,2,5-trimethylhexan-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 71041761

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide (CID 106356177) is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NC(CCBr)C(C)(C)C.
What is the InChIKey of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is ZJBFKWWEVFVIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-8-7-9(8)11(15)14-10(5-6-13)12(2,3)4/h8-10H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide?
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 276.22 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 106356177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).