2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide

C8H14BrNO — CID 107904481

IUPAC2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)CC1CC1
InChIInChI=1S/C8H14BrNO/c1-6(9)8(11)10(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyYJZWANBKXNUKBL-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.64
Rot. Bonds3

About 2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide

2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide (PubChem CID 107904481) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
PubChem CID107904481
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)CC1CC1
InChIInChI=1S/C8H14BrNO/c1-6(9)8(11)10(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyYJZWANBKXNUKBL-UHFFFAOYSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.64
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

(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
N-(cyclobutylmethyl)-N-methyl-2-(methylamino)propanamide
CID 62861176
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951295
2-bromo-N-methyl-N-(2-methylpropyl)propanamide
CID 107903182
N-(cyclohexylmethyl)-2-methoxy-N-methylpropanamide
CID 112685953
2-amino-N-(cyclobutylmethyl)-N-methylbutanediamide
CID 62861520
2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide
CID 63654905
2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide
CID 107471602
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
2-[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638309

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide?
The IUPAC name of 2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide (CID 107904481) is 2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide is CC(Br)C(=O)N(C)CC1CC1.
What is the InChIKey of 2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide?
The InChIKey is YJZWANBKXNUKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-6(9)8(11)10(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide?
2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide has a molecular weight of 220.11 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide is sourced from PubChem (CID 107904481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).