N-(3-bromopropyl)-3,4,4-trimethylpentanamide

C11H22BrNO — CID 63834180

IUPACN-(3-bromopropyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCCCBr)C(C)(C)C
InChIInChI=1S/C11H22BrNO/c1-9(11(2,3)4)8-10(14)13-7-5-6-12/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyVPDURLPKTVQEFR-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.96
Rot. Bonds5

About N-(3-bromopropyl)-3,4,4-trimethylpentanamide

N-(3-bromopropyl)-3,4,4-trimethylpentanamide (PubChem CID 63834180) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is N-(3-bromopropyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-3,4,4-trimethylpentanamide
PubChem CID63834180
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC NameN-(3-bromopropyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCCCBr)C(C)(C)C
InChIInChI=1S/C11H22BrNO/c1-9(11(2,3)4)8-10(14)13-7-5-6-12/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyVPDURLPKTVQEFR-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(3-bromopropyl)-3,4,4-trimethylpentanamide (CID 63834180) is N-(3-bromopropyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(3-bromopropyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(3-bromopropyl)-3,4,4-trimethylpentanamide is CC(CC(=O)NCCCBr)C(C)(C)C.
What is the InChIKey of N-(3-bromopropyl)-3,4,4-trimethylpentanamide?
The InChIKey is VPDURLPKTVQEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-9(11(2,3)4)8-10(14)13-7-5-6-12/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(3-bromopropyl)-3,4,4-trimethylpentanamide?
N-(3-bromopropyl)-3,4,4-trimethylpentanamide has a molecular weight of 264.21 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63834180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).