N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide

C16H28BrNO — CID 106829038

IUPACN-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(CBr)(NC(=O)C2(C)CCCCC2)C1
InChIInChI=1S/C16H28BrNO/c1-13-7-6-10-16(11-13,12-17)18-14(19)15(2)8-4-3-5-9-15/h13H,3-12H2,1-2H3,(H,18,19)
InChIKeyDJQFXGCPSPYVBT-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.42
Rot. Bonds3

About N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide

N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 106829038) has the molecular formula C16H28BrNO and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide
PubChem CID106829038
Molecular FormulaC16H28BrNO
Molecular Weight330.31 g/mol
Exact Mass329.14
IUPAC NameN-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(CBr)(NC(=O)C2(C)CCCCC2)C1
InChIInChI=1S/C16H28BrNO/c1-13-7-6-10-16(11-13,12-17)18-14(19)15(2)8-4-3-5-9-15/h13H,3-12H2,1-2H3,(H,18,19)
InChIKeyDJQFXGCPSPYVBT-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.42
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-[1-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932332
N-[1-(bromomethyl)-3-methylcyclohexyl]-4,4-difluorocyclohexane-1-carboxamide
CID 81934180
N-(1-adamantyl)-6-bromohexanamide
CID 16637932
N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide
CID 59877451
N-(1-adamantyl)-8-bromooctanamide
CID 118540785
8-bromo-N-(1-ethyl-3,5-dimethylcyclohexyl)octanamide
CID 123563686
N-(1-adamantyl)-7-bromoheptanamide
CID 152700467
N-tert-butylcyclohexanecarboxamide;2,2-dimethylpropylcyclohexane
CID 161955413
(5S,7R)-3-bromo-N-(2-methylbutan-2-yl)adamantane-1-carboxamide
CID 7700998
2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-methylbutan-2-yl)acetamide
CID 7701038
(5S,7R)-3-bromo-N-tert-butyladamantane-1-carboxamide
CID 7914397
2-[(5S,7R)-3-bromo-1-adamantyl]-N-tert-butylacetamide
CID 7914409

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide (CID 106829038) is N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide is CC1CCCC(CBr)(NC(=O)C2(C)CCCCC2)C1.
What is the InChIKey of N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is DJQFXGCPSPYVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNO/c1-13-7-6-10-16(11-13,12-17)18-14(19)15(2)8-4-3-5-9-15/h13H,3-12H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide?
N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106829038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).