N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide

C11H20ClNO — CID 106142987

IUPACN-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCC(C)(C)CCCl
InChIInChI=1S/C11H20ClNO/c1-8-6-9(8)10(14)13-7-11(2,3)4-5-12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyCYYYZYCYWUWLFI-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.41
Rot. Bonds5

About N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide

N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 106142987) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide
PubChem CID106142987
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCC(C)(C)CCCl
InChIInChI=1S/C11H20ClNO/c1-8-6-9(8)10(14)13-7-11(2,3)4-5-12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyCYYYZYCYWUWLFI-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.41
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-(2-amino-2-methylpropyl)-2-methylcyclopropane-1-carboxamide
CID 81483791
2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 66172151
N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide
CID 106147910
N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 114149321
N-(4-chloro-2,2-dimethylbutyl)oxane-2-carboxamide
CID 106142571
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutanamide
CID 106143278
N-[2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propyl]-3-methylcyclobutane-1-carboxamide
CID 84586419
methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate
CID 43404745
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114093176
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093178
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide (CID 106142987) is N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCC(C)(C)CCCl.
What is the InChIKey of N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is CYYYZYCYWUWLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-8-6-9(8)10(14)13-7-11(2,3)4-5-12/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide?
N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 217.74 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 106142987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).