N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide

C15H28BrNO — CID 114282347

IUPACN-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NC1(CBr)CCCCC1)C(C)C
InChIInChI=1S/C15H28BrNO/c1-11(2)13(12(3)4)14(18)17-15(10-16)8-6-5-7-9-15/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyQOMNBFGJWYAGQS-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.13
Rot. Bonds5

About N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide

N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide (PubChem CID 114282347) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide
PubChem CID114282347
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NC1(CBr)CCCCC1)C(C)C
InChIInChI=1S/C15H28BrNO/c1-11(2)13(12(3)4)14(18)17-15(10-16)8-6-5-7-9-15/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyQOMNBFGJWYAGQS-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.13
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

1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62551131
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156
N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
CID 114311375
N-[1-(bromomethyl)cyclopentyl]butanamide
CID 114311287
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62551130
N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide
CID 126981194
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
N-[1-(bromomethyl)cyclohexyl]-2-methylthiolane-2-carboxamide
CID 114314189
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
N-[1-(bromomethyl)cyclohexyl]-2-cyclopentylacetamide
CID 114314127
N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide
CID 114314026

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide (CID 114282347) is N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)NC1(CBr)CCCCC1)C(C)C.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide?
The InChIKey is QOMNBFGJWYAGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-11(2)13(12(3)4)14(18)17-15(10-16)8-6-5-7-9-15/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide?
N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide has a molecular weight of 318.30 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 114282347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).