N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide

C12H22BrNO — CID 106117840

IUPACN-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide
SMILESCCCC(CCBr)CNC(=O)C1CC1C
InChIInChI=1S/C12H22BrNO/c1-3-4-10(5-6-13)8-14-12(15)11-7-9(11)2/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyZKVVSMXIYYZIIN-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.96
Rot. Bonds7

About N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide

N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 106117840) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide
PubChem CID106117840
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide
SMILESCCCC(CCBr)CNC(=O)C1CC1C
InChIInChI=1S/C12H22BrNO/c1-3-4-10(5-6-13)8-14-12(15)11-7-9(11)2/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyZKVVSMXIYYZIIN-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.96
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]-2-methyloxolane-3-carboxamide
CID 106118030
cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106114027
N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide
CID 106117996
N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide
CID 106117955
N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114145799
N-[(2R)-2-hydroxypropyl]-2-methylcyclopropane-1-carboxamide
CID 83032173
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide
CID 106117908
N-(2-hydroxy-3-methylbutyl)-2-methylcyclopropane-1-carboxamide
CID 115701552
N-[2-(2-aminoethyl)pentyl]cyclopentanecarboxamide
CID 106116208
(3S)-5-methyl-3-[[(2-methylcyclopropanecarbonyl)amino]methyl]hexanoic acid
CID 65492659
N-[2-(2-hydroxyethyl)pentyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114145522

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide (CID 106117840) is N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide is CCCC(CCBr)CNC(=O)C1CC1C.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is ZKVVSMXIYYZIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-3-4-10(5-6-13)8-14-12(15)11-7-9(11)2/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide?
N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 276.22 g/mol, XLogP of 2.96, 7 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]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 106117840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).