N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide

C12H22BrNO — CID 107206109

IUPACN-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCN(CCCCCBr)C(=O)C1CC1(C)C
InChIInChI=1S/C12H22BrNO/c1-12(2)9-10(12)11(15)14(3)8-6-4-5-7-13/h10H,4-9H2,1-3H3
InChIKeyLSGIJSJNFHGXSF-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.06
Rot. Bonds6

About N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide

N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide (PubChem CID 107206109) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide
PubChem CID107206109
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCN(CCCCCBr)C(=O)C1CC1(C)C
InChIInChI=1S/C12H22BrNO/c1-12(2)9-10(12)11(15)14(3)8-6-4-5-7-13/h10H,4-9H2,1-3H3
InChIKeyLSGIJSJNFHGXSF-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide (CID 107206109) is N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide is CN(CCCCCBr)C(=O)C1CC1(C)C.
What is the InChIKey of N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
The InChIKey is LSGIJSJNFHGXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-12(2)9-10(12)11(15)14(3)8-6-4-5-7-13/h10H,4-9H2,1-3H3.
What are the key properties of N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide has a molecular weight of 276.22 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107206109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).