N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide

C13H24BrNO — CID 106132571

IUPACN-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC1CCCC(Br)C1
InChIInChI=1S/C13H24BrNO/c1-13(2,3)8-12(16)15-9-10-5-4-6-11(14)7-10/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyNTBXISGYRLAJRB-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.49
Rot. Bonds3

About N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide

N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide (PubChem CID 106132571) has the molecular formula C13H24BrNO and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide
PubChem CID106132571
Molecular FormulaC13H24BrNO
Molecular Weight290.24 g/mol
Exact Mass289.10
IUPAC NameN-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC1CCCC(Br)C1
InChIInChI=1S/C13H24BrNO/c1-13(2,3)8-12(16)15-9-10-5-4-6-11(14)7-10/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyNTBXISGYRLAJRB-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.49
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

tert-butyl N-[(3-bromocyclohexyl)methyl]carbamate
CID 104701959
N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 103279887
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106132587
5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933861
N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide
CID 106133060
N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide
CID 114147724
N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide
CID 106128914
N-[(3-bromocyclohexyl)methyl]thiolane-3-carboxamide
CID 106132659
N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide
CID 106133046
N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide
CID 106133052
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide (CID 106132571) is N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC1CCCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is NTBXISGYRLAJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-13(2,3)8-12(16)15-9-10-5-4-6-11(14)7-10/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide?
N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 290.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 106132571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).