1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide

C12H24N2O2 — CID 65106795

IUPAC1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1(N)CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-11(16,4-2)9-14-10(15)12(13)7-5-6-8-12/h16H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyLYRMMLZJGSGCDA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.93
Rot. Bonds5

About 1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide

1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide (PubChem CID 65106795) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide
PubChem CID65106795
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1(N)CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-11(16,4-2)9-14-10(15)12(13)7-5-6-8-12/h16H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyLYRMMLZJGSGCDA-UHFFFAOYSA-N
XLogP0.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide (CID 65106795) is 1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide is CCC(O)(CC)CNC(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide?
The InChIKey is LYRMMLZJGSGCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-11(16,4-2)9-14-10(15)12(13)7-5-6-8-12/h16H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide?
1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-ethyl-2-hydroxybutyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 65106795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).