N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide

C13H26BrNO — CID 106117996

IUPACN-[2-(2-bromoethyl)pentyl]-4-methylpentanamide
SMILESCCCC(CCBr)CNC(=O)CCC(C)C
InChIInChI=1S/C13H26BrNO/c1-4-5-12(8-9-14)10-15-13(16)7-6-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyARJXHVCEEQLDBL-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.74
Rot. Bonds9

About N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide

N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide (PubChem CID 106117996) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-4-methylpentanamide
PubChem CID106117996
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC NameN-[2-(2-bromoethyl)pentyl]-4-methylpentanamide
SMILESCCCC(CCBr)CNC(=O)CCC(C)C
InChIInChI=1S/C13H26BrNO/c1-4-5-12(8-9-14)10-15-13(16)7-6-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyARJXHVCEEQLDBL-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.74
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

N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide
CID 106117955
N-(4-bromo-2-ethylbutyl)butanamide
CID 114317545
N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114145799
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
N-[2-(2-bromoethyl)pentyl]-3-(3-methylphenoxy)propanamide
CID 106118154
N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide
CID 106117840
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
CID 106117964
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076
3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
CID 114145772
N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide
CID 106117908
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide (CID 106117996) is N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide is CCCC(CCBr)CNC(=O)CCC(C)C.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide?
The InChIKey is ARJXHVCEEQLDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-4-5-12(8-9-14)10-15-13(16)7-6-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide?
N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide has a molecular weight of 292.26 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide is sourced from PubChem (CID 106117996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).