3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide

C12H24N2O2 — CID 23297897

IUPAC3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide
SMILESCC(C)CC(N)C(O)C(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-8(2)7-10(13)11(15)12(16)14-9-5-3-4-6-9/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)
InChIKeyHDYMPSCEIMZNJP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide

3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide (PubChem CID 23297897) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide
PubChem CID23297897
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide
SMILESCC(C)CC(N)C(O)C(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-8(2)7-10(13)11(15)12(16)14-9-5-3-4-6-9/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)
InChIKeyHDYMPSCEIMZNJP-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide?
The IUPAC name of 3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide (CID 23297897) is 3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide?
The canonical SMILES for 3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide is CC(C)CC(N)C(O)C(=O)NC1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide?
The InChIKey is HDYMPSCEIMZNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)7-10(13)11(15)12(16)14-9-5-3-4-6-9/h8-11,15H,3-7,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide?
3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide is sourced from PubChem (CID 23297897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).