N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide

C12H22BrNO — CID 80665189

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

About N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide

N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide (PubChem CID 80665189) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide
PubChem CID80665189
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)N(C)CC(C)Br)CCCC1
InChIInChI=1S/C12H22BrNO/c1-4-12(7-5-6-8-12)11(15)14(3)9-10(2)13/h10H,4-9H2,1-3H3
InChIKeyIGZSRAVYTZLTAP-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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide (CID 80665189) is N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide is CCC1(C(=O)N(C)CC(C)Br)CCCC1.
What is the InChIKey of N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide?
The InChIKey is IGZSRAVYTZLTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-4-12(7-5-6-8-12)11(15)14(3)9-10(2)13/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide?
N-(2-bromopropyl)-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-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 80665189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).