1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide

C12H24N2O2 — CID 79586651

IUPAC1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide
SMILESCCC(C)OCCC1CCCC1(N)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-3-9(2)16-8-6-10-5-4-7-12(10,14)11(13)15/h9-10H,3-8,14H2,1-2H3,(H2,13,15)
InChIKeyBWYXBQZGXUBQEY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds6

About 1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide

1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide (PubChem CID 79586651) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide
PubChem CID79586651
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide
SMILESCCC(C)OCCC1CCCC1(N)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-3-9(2)16-8-6-10-5-4-7-12(10,14)11(13)15/h9-10H,3-8,14H2,1-2H3,(H2,13,15)
InChIKeyBWYXBQZGXUBQEY-UHFFFAOYSA-N
XLogP1.17
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide (CID 79586651) is 1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide is CCC(C)OCCC1CCCC1(N)C(N)=O.
What is the InChIKey of 1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide?
The InChIKey is BWYXBQZGXUBQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9(2)16-8-6-10-5-4-7-12(10,14)11(13)15/h9-10H,3-8,14H2,1-2H3,(H2,13,15).
What are the key properties of 1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide?
1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79586651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).