N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide

C13H22BrNO — CID 115456298

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCC1(CBr)CC1
InChIInChI=1S/C13H22BrNO/c14-9-13(7-8-13)10-15-12(16)6-5-11-3-1-2-4-11/h11H,1-10H2,(H,15,16)
InChIKeyKWQBFPWSGWSPPX-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.25
Rot. Bonds6

About N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide

N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide (PubChem CID 115456298) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide
PubChem CID115456298
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCC1(CBr)CC1
InChIInChI=1S/C13H22BrNO/c14-9-13(7-8-13)10-15-12(16)6-5-11-3-1-2-4-11/h11H,1-10H2,(H,15,16)
InChIKeyKWQBFPWSGWSPPX-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.25
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

3-cyclopentyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751583
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide
CID 114757993
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470
3-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272150
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
CID 115456501
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734
N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 115456256
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115456221
4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440979
4-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]butanamide
CID 115272161
3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide
CID 90581058

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide (CID 115456298) is N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide is O=C(CCC1CCCC1)NCC1(CBr)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide?
The InChIKey is KWQBFPWSGWSPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c14-9-13(7-8-13)10-15-12(16)6-5-11-3-1-2-4-11/h11H,1-10H2,(H,15,16).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide has a molecular weight of 288.23 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 115456298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).