N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide

C14H26BrNO — CID 106169143

IUPACN-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC(C)(CCBr)NC(=O)C1(CC)CCCC1
InChIInChI=1S/C14H26BrNO/c1-4-13(3,10-11-15)16-12(17)14(5-2)8-6-7-9-14/h4-11H2,1-3H3,(H,16,17)
InChIKeyLHNNNOYRJMVKRP-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.03
Rot. Bonds6

About N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide

N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 106169143) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide
PubChem CID106169143
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC(C)(CCBr)NC(=O)C1(CC)CCCC1
InChIInChI=1S/C14H26BrNO/c1-4-13(3,10-11-15)16-12(17)14(5-2)8-6-7-9-14/h4-11H2,1-3H3,(H,16,17)
InChIKeyLHNNNOYRJMVKRP-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.03
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-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide (CID 106169143) is N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide is CCC(C)(CCBr)NC(=O)C1(CC)CCCC1.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is LHNNNOYRJMVKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-4-13(3,10-11-15)16-12(17)14(5-2)8-6-7-9-14/h4-11H2,1-3H3,(H,16,17).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide?
N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 106169143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).