N-(2-bromoethyl)-2-methyl-N-propylpropanamide

C9H18BrNO — CID 80660221

IUPACN-(2-bromoethyl)-2-methyl-N-propylpropanamide
SMILESCCCN(CCBr)C(=O)C(C)C
InChIInChI=1S/C9H18BrNO/c1-4-6-11(7-5-10)9(12)8(2)3/h8H,4-7H2,1-3H3
InChIKeyYCZQOLWMRLQXLW-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.28
Rot. Bonds5

About N-(2-bromoethyl)-2-methyl-N-propylpropanamide

N-(2-bromoethyl)-2-methyl-N-propylpropanamide (PubChem CID 80660221) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-methyl-N-propylpropanamide
PubChem CID80660221
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN-(2-bromoethyl)-2-methyl-N-propylpropanamide
SMILESCCCN(CCBr)C(=O)C(C)C
InChIInChI=1S/C9H18BrNO/c1-4-6-11(7-5-10)9(12)8(2)3/h8H,4-7H2,1-3H3
InChIKeyYCZQOLWMRLQXLW-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.28
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-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
N-(2-bromoethyl)-N-propylacetamide
CID 80660131
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
N-(2-bromoethyl)-N-butyl-2-propylpentanamide
CID 82987659
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
CID 80665638
[1-(dipropylamino)-1-oxopropan-2-yl] acetate
CID 143294718
2-chloro-N,N-dipropylbutanamide
CID 121204586
N-butan-2-yl-2-methyl-N-propylpropanamide
CID 153425252
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-methyl-N-propylpropanamide?
The IUPAC name of N-(2-bromoethyl)-2-methyl-N-propylpropanamide (CID 80660221) is N-(2-bromoethyl)-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-(2-bromoethyl)-2-methyl-N-propylpropanamide?
The canonical SMILES for N-(2-bromoethyl)-2-methyl-N-propylpropanamide is CCCN(CCBr)C(=O)C(C)C.
What is the InChIKey of N-(2-bromoethyl)-2-methyl-N-propylpropanamide?
The InChIKey is YCZQOLWMRLQXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-4-6-11(7-5-10)9(12)8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-2-methyl-N-propylpropanamide?
N-(2-bromoethyl)-2-methyl-N-propylpropanamide has a molecular weight of 236.15 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-methyl-N-propylpropanamide is sourced from PubChem (CID 80660221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).