N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide

C12H22BrNO — CID 104556120

IUPACN-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)N(C)C(C)CBr)CCCC1
InChIInChI=1S/C12H22BrNO/c1-4-12(7-5-6-8-12)11(15)14(3)10(2)9-13/h10H,4-9H2,1-3H3
InChIKeyMJGLBZKNSHXKCF-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.20
Rot. Bonds4

About N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide

N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide (PubChem CID 104556120) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide
PubChem CID104556120
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)N(C)C(C)CBr)CCCC1
InChIInChI=1S/C12H22BrNO/c1-4-12(7-5-6-8-12)11(15)14(3)10(2)9-13/h10H,4-9H2,1-3H3
InChIKeyMJGLBZKNSHXKCF-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.20
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-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 80665189
N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide
CID 104556256
4-ethyl-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 104551835
N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide
CID 80661137
3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
CID 112659335
2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid
CID 119358847
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 80672991
1-ethylcyclopentane-1-carboxamide
CID 55285008
N-methyl-1-(methylaminomethyl)-N-propan-2-ylcyclobutane-1-carboxamide
CID 115183656
N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide
CID 104555972
N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63224988

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide (CID 104556120) is N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide is CCC1(C(=O)N(C)C(C)CBr)CCCC1.
What is the InChIKey of N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide?
The InChIKey is MJGLBZKNSHXKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-4-12(7-5-6-8-12)11(15)14(3)10(2)9-13/h10H,4-9H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide?
N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide has a molecular weight of 276.22 g/mol, XLogP of 3.20, 4 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)-1-ethyl-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 104556120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).