5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide

C13H24BrNO — CID 107910275

IUPAC5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
SMILESCC1(C)C(CNC(=O)CCCCBr)C1(C)C
InChIInChI=1S/C13H24BrNO/c1-12(2)10(13(12,3)4)9-15-11(16)7-5-6-8-14/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyPWDKGUJKORTNKG-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.35
Rot. Bonds6

About 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide

5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide (PubChem CID 107910275) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
PubChem CID107910275
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC Name5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
SMILESCC1(C)C(CNC(=O)CCCCBr)C1(C)C
InChIInChI=1S/C13H24BrNO/c1-12(2)10(13(12,3)4)9-15-11(16)7-5-6-8-14/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyPWDKGUJKORTNKG-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.35
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

4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79356434
5-bromo-N-(cyclobutylmethyl)pentanamide
CID 107907993
3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 131910089
5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107910816
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
5-bromo-N-methylpentanamide
CID 19971018
5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
CID 107910184
2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 136539129
5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
CID 107910113
2-(6-bromohexanoylamino)acetic acid
CID 18934957
3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362858
5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
CID 107907997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide (CID 107910275) is 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide is CC1(C)C(CNC(=O)CCCCBr)C1(C)C.
What is the InChIKey of 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The InChIKey is PWDKGUJKORTNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-12(2)10(13(12,3)4)9-15-11(16)7-5-6-8-14/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide has a molecular weight of 290.25 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 107910275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).