N-(1-bromopropan-2-yl)-3-methylpentanamide

C9H18BrNO — CID 114876990

IUPACN-(1-bromopropan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)CBr
InChIInChI=1S/C9H18BrNO/c1-4-7(2)5-9(12)11-8(3)6-10/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyUBMZTCQFHIJZOO-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.32
Rot. Bonds5

About N-(1-bromopropan-2-yl)-3-methylpentanamide

N-(1-bromopropan-2-yl)-3-methylpentanamide (PubChem CID 114876990) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-3-methylpentanamide
PubChem CID114876990
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN-(1-bromopropan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)CBr
InChIInChI=1S/C9H18BrNO/c1-4-7(2)5-9(12)11-8(3)6-10/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyUBMZTCQFHIJZOO-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.32
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

5-(3-methylpentanoylamino)hexanoic acid
CID 114873856
N-(4-hydroxy-3-methylbutan-2-yl)-3-methylpentanamide
CID 114875462
(2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid
CID 104982198
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
3-hydroxy-2-(3-methylpentanoylamino)butanoic acid
CID 114873567
N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide
CID 114877077
N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide
CID 114876936
N-hex-5-yn-3-yl-3-methylpentanamide
CID 114876499
2-methylpropyl 2-(3-methylpentanoylamino)propanoate
CID 22492175
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
4-bromo-3-methyl-N-[2-(propanoylamino)ethyl]butanamide
CID 91498836

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-3-methylpentanamide?
The IUPAC name of N-(1-bromopropan-2-yl)-3-methylpentanamide (CID 114876990) is N-(1-bromopropan-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-3-methylpentanamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-3-methylpentanamide is CCC(C)CC(=O)NC(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-3-methylpentanamide?
The InChIKey is UBMZTCQFHIJZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-4-7(2)5-9(12)11-8(3)6-10/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(1-bromopropan-2-yl)-3-methylpentanamide?
N-(1-bromopropan-2-yl)-3-methylpentanamide has a molecular weight of 236.15 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 114876990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).