N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide

C9H16BrNO — CID 80665638

IUPACN-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
SMILESCC(C)C(=O)N(CCBr)C1CC1
InChIInChI=1S/C9H16BrNO/c1-7(2)9(12)11(6-5-10)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyMROKFVQUMNUIPN-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.03
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide

N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide (PubChem CID 80665638) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
PubChem CID80665638
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
SMILESCC(C)C(=O)N(CCBr)C1CC1
InChIInChI=1S/C9H16BrNO/c1-7(2)9(12)11(6-5-10)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyMROKFVQUMNUIPN-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-2-methylsulfonylpropanamide
CID 104522298
N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 153456784
N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide
CID 80659315
N-(2-bromoethyl)-N-cyclopropylpropanamide
CID 80665634
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid
CID 82323613
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide
CID 102873018
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
2-bromo-N-cyclopropyl-N-(3-methylbutyl)butanamide
CID 62854688
N-cyclopropyl-2-methyl-N-propan-2-ylpropanamide
CID 110872845

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide (CID 80665638) is N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide is CC(C)C(=O)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide?
The InChIKey is MROKFVQUMNUIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-7(2)9(12)11(6-5-10)8-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide?
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide has a molecular weight of 234.14 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 80665638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).