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

C14H26BrNO — CID 106117908

IUPACN-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide
SMILESCCCC(CCBr)CNC(=O)C1(C)CCCC1
InChIInChI=1S/C14H26BrNO/c1-3-6-12(7-10-15)11-16-13(17)14(2)8-4-5-9-14/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyDDHRISICFMKSJX-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.88
Rot. Bonds7

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

N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 106117908) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide
PubChem CID106117908
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide
SMILESCCCC(CCBr)CNC(=O)C1(C)CCCC1
InChIInChI=1S/C14H26BrNO/c1-3-6-12(7-10-15)11-16-13(17)14(2)8-4-5-9-14/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyDDHRISICFMKSJX-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide (CID 106117908) is N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide is CCCC(CCBr)CNC(=O)C1(C)CCCC1.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is DDHRISICFMKSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-3-6-12(7-10-15)11-16-13(17)14(2)8-4-5-9-14/h12H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide?
N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 3.88, 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]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 106117908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).