N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide

C13H24BrNO — CID 104556269

IUPACN-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide
SMILESCC(CBr)N(C)C(=O)CCC1CCCCC1
InChIInChI=1S/C13H24BrNO/c1-11(10-14)15(2)13(16)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeyRWPJRAHXWFVPCW-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.59
Rot. Bonds5

About N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide

N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide (PubChem CID 104556269) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide
PubChem CID104556269
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide
SMILESCC(CBr)N(C)C(=O)CCC1CCCCC1
InChIInChI=1S/C13H24BrNO/c1-11(10-14)15(2)13(16)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeyRWPJRAHXWFVPCW-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-4-cyclohexyl-N-methylbutanamide
CID 112817760
3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide
CID 76987836
N-butan-2-yl-N-methyl-3-piperidin-4-ylpropanamide
CID 62210682
3-(3-aminocyclohexyl)-N-butan-2-yl-N-methylpropanamide
CID 80701676
N-cyclohexyl-3-cyclopentyl-N-methylpropanamide
CID 86976959
N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
CID 63393802
CID 43572467
CID 43572467
1-cyclohexylhexan-3-one
CID 10856142
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
1-cyclohexyl-4-methylhexan-3-one
CID 115787943
N-methyl-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 62211368

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide?
The IUPAC name of N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide (CID 104556269) is N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide is CC(CBr)N(C)C(=O)CCC1CCCCC1.
What is the InChIKey of N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide?
The InChIKey is RWPJRAHXWFVPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-11(10-14)15(2)13(16)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide?
N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide has a molecular weight of 290.25 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 104556269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).