N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide

C15H26BrNO — CID 107156438

IUPACN-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)(C)CC(Br)CNC(=O)C1C2CCCCC21
InChIInChI=1S/C15H26BrNO/c1-15(2,3)8-10(16)9-17-14(18)13-11-6-4-5-7-12(11)13/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyPCUFXNCPAUAOQS-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.74
Rot. Bonds4

About N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 107156438) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID107156438
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC NameN-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)(C)CC(Br)CNC(=O)C1C2CCCCC21
InChIInChI=1S/C15H26BrNO/c1-15(2,3)8-10(16)9-17-14(18)13-11-6-4-5-7-12(11)13/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyPCUFXNCPAUAOQS-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114308612
N-(2-chloro-3-methoxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114298715
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
CID 107156617
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 107156553
N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide
CID 107156655
(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
CID 758027
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750704
N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
CID 79139027
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 107156438) is N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide is CC(C)(C)CC(Br)CNC(=O)C1C2CCCCC21.
What is the InChIKey of N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is PCUFXNCPAUAOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c1-15(2,3)8-10(16)9-17-14(18)13-11-6-4-5-7-12(11)13/h10-13H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 107156438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).