N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide

C10H18BrNO — CID 80666606

IUPACN-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(CCBr)C(C)C
InChIInChI=1S/C10H18BrNO/c1-7(2)12(5-4-11)10(13)9-6-8(9)3/h7-9H,4-6H2,1-3H3
InChIKeyLMNAPMULPNHJEG-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.27
Rot. Bonds4

About N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide

N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 80666606) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID80666606
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC NameN-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(CCBr)C(C)C
InChIInChI=1S/C10H18BrNO/c1-7(2)12(5-4-11)10(13)9-6-8(9)3/h7-9H,4-6H2,1-3H3
InChIKeyLMNAPMULPNHJEG-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.27
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-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 43136679
5-amino-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102706516
N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide
CID 78858376
N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 107183830
cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311627
4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62782228
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63715988
N-(3-bromopropyl)-N-propan-2-yltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097196
2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948640
(1S,6R)-6-[2-hydroxyethyl(propan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962022
N-(2-bromoethyl)-2-methylsulfonyl-N-propan-2-ylpropanamide
CID 104522292
5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102706640

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 80666606) is N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide is CC1CC1C(=O)N(CCBr)C(C)C.
What is the InChIKey of N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is LMNAPMULPNHJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-7(2)12(5-4-11)10(13)9-6-8(9)3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 248.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 80666606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).