5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide

C12H22BrNO2 — CID 107910184

IUPAC5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
SMILESO=C(CCCCBr)NCC1CCCCC1O
InChIInChI=1S/C12H22BrNO2/c13-8-4-3-7-12(16)14-9-10-5-1-2-6-11(10)15/h10-11,15H,1-9H2,(H,14,16)
InChIKeySJWOBZBNWAULIR-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.22
Rot. Bonds6

About 5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide

5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide (PubChem CID 107910184) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
PubChem CID107910184
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC Name5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
SMILESO=C(CCCCBr)NCC1CCCCC1O
InChIInChI=1S/C12H22BrNO2/c13-8-4-3-7-12(16)14-9-10-5-1-2-6-11(10)15/h10-11,15H,1-9H2,(H,14,16)
InChIKeySJWOBZBNWAULIR-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[(2-hydroxycyclohexyl)methyl]hexanamide
CID 64912157
5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107910816
N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 64910772
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
5-bromo-N-(cyclobutylmethyl)pentanamide
CID 107907993
N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 64929499
N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64911137
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
5-bromo-N-(thian-2-ylmethyl)pentanamide
CID 107910332
N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide
CID 166414598
2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
CID 119795423

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide (CID 107910184) is 5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide is O=C(CCCCBr)NCC1CCCCC1O.
What is the InChIKey of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide?
The InChIKey is SJWOBZBNWAULIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c13-8-4-3-7-12(16)14-9-10-5-1-2-6-11(10)15/h10-11,15H,1-9H2,(H,14,16).
What are the key properties of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide?
5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide has a molecular weight of 292.22 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide is sourced from PubChem (CID 107910184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).