N-(1-bromopropan-2-yl)-N-methylpentanamide

C9H18BrNO — CID 104556286

IUPACN-(1-bromopropan-2-yl)-N-methylpentanamide
SMILESCCCCC(=O)N(C)C(C)CBr
InChIInChI=1S/C9H18BrNO/c1-4-5-6-9(12)11(3)8(2)7-10/h8H,4-7H2,1-3H3
InChIKeySKDCWJRYPKWNJQ-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.42
Rot. Bonds5

About N-(1-bromopropan-2-yl)-N-methylpentanamide

N-(1-bromopropan-2-yl)-N-methylpentanamide (PubChem CID 104556286) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methylpentanamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methylpentanamide
PubChem CID104556286
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN-(1-bromopropan-2-yl)-N-methylpentanamide
SMILESCCCCC(=O)N(C)C(C)CBr
InChIInChI=1S/C9H18BrNO/c1-4-5-6-9(12)11(3)8(2)7-10/h8H,4-7H2,1-3H3
InChIKeySKDCWJRYPKWNJQ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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

2-[methyl(pentanoyl)amino]propanoic acid
CID 62627616
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
N-methyl-N-pentan-3-ylpentanamide
CID 162142543
N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide
CID 104556269
N-(2-bromopropyl)-N-methylpentanamide
CID 80666538
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924
N-(1-cyanopropan-2-yl)-N-methyldodecanamide
CID 63296980
2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 61042848
5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 107910661
N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N-methylpentanamide?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methylpentanamide (CID 104556286) is N-(1-bromopropan-2-yl)-N-methylpentanamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methylpentanamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methylpentanamide is CCCCC(=O)N(C)C(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methylpentanamide?
The InChIKey is SKDCWJRYPKWNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-4-5-6-9(12)11(3)8(2)7-10/h8H,4-7H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-N-methylpentanamide?
N-(1-bromopropan-2-yl)-N-methylpentanamide has a molecular weight of 236.15 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N-methylpentanamide is sourced from PubChem (CID 104556286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).