5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide

C14H26BrNO — CID 107910137

IUPAC5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide
SMILESCC1CCC(CCNC(=O)CCCCBr)CC1
InChIInChI=1S/C14H26BrNO/c1-12-5-7-13(8-6-12)9-11-16-14(17)4-2-3-10-15/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyVHOJRIAEVMIUOL-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.88
Rot. Bonds7

About 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide

5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide (PubChem CID 107910137) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide
PubChem CID107910137
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide
SMILESCC1CCC(CCNC(=O)CCCCBr)CC1
InChIInChI=1S/C14H26BrNO/c1-12-5-7-13(8-6-12)9-11-16-14(17)4-2-3-10-15/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyVHOJRIAEVMIUOL-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[2-(4-methylcyclohexyl)ethyl]pentanamide
CID 79209594
N-(2-cyclopropylethyl)-4-hydroxybutanamide
CID 79192412
2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide
CID 114328747
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide
CID 79208918
N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide
CID 2013
5-bromo-N-(cyclobutylmethyl)pentanamide
CID 107907993
5-bromo-N-(2-butoxyethyl)pentanamide
CID 10016485
4-chloro-N-(2-cyclopentylethyl)butanamide
CID 63307990
N-(3-cyclopropylpropyl)-4-(methylamino)butanamide
CID 115740529
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
CID 107910537
5-bromo-N-[(E)-pent-3-enyl]pentanamide
CID 107910578

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide (CID 107910137) is 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide is CC1CCC(CCNC(=O)CCCCBr)CC1.
What is the InChIKey of 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide?
The InChIKey is VHOJRIAEVMIUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-12-5-7-13(8-6-12)9-11-16-14(17)4-2-3-10-15/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide?
5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide 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 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide is sourced from PubChem (CID 107910137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).