N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide

C12H22BrNO — CID 80661137

IUPACN-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide
SMILESCCN(CCBr)C(=O)C1(CC)CCCC1
InChIInChI=1S/C12H22BrNO/c1-3-12(7-5-6-8-12)11(15)14(4-2)10-9-13/h3-10H2,1-2H3
InChIKeySHQWHPPSSBXRPI-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.20
Rot. Bonds5

About N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide

N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide (PubChem CID 80661137) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide
PubChem CID80661137
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide
SMILESCCN(CCBr)C(=O)C1(CC)CCCC1
InChIInChI=1S/C12H22BrNO/c1-3-12(7-5-6-8-12)11(15)14(4-2)10-9-13/h3-10H2,1-2H3
InChIKeySHQWHPPSSBXRPI-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide
CID 80662849
N-[3-(diethylamino)propyl]-N,4-diethylpiperidine-4-carboxamide
CID 102993130
N-(1-bromopropan-2-yl)-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 104556120
N,3-diethyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 63131546
N-ethyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131140
N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide
CID 63692883
N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
CID 63128833
1-ethylcyclopentane-1-carboxamide
CID 55285008
N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 80665189
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106827331
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide
CID 63956979
2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 63135315

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide (CID 80661137) is N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide is CCN(CCBr)C(=O)C1(CC)CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide?
The InChIKey is SHQWHPPSSBXRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-3-12(7-5-6-8-12)11(15)14(4-2)10-9-13/h3-10H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide?
N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide has a molecular weight of 276.22 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N,1-diethylcyclopentane-1-carboxamide is sourced from PubChem (CID 80661137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).