5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide

C12H24N2O2 — CID 82012457

IUPAC5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)NC1CCCC(O)C1
InChIInChI=1S/C12H24N2O2/c1-9(8-13)5-6-12(16)14-10-3-2-4-11(15)7-10/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeySKNRYTBNMBXKBW-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds5

About 5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide

5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide (PubChem CID 82012457) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide
PubChem CID82012457
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)NC1CCCC(O)C1
InChIInChI=1S/C12H24N2O2/c1-9(8-13)5-6-12(16)14-10-3-2-4-11(15)7-10/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeySKNRYTBNMBXKBW-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 5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide (CID 82012457) is 5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide is CC(CN)CCC(=O)NC1CCCC(O)C1.
What is the InChIKey of 5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide?
The InChIKey is SKNRYTBNMBXKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(8-13)5-6-12(16)14-10-3-2-4-11(15)7-10/h9-11,15H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide?
5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide 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 5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide is sourced from PubChem (CID 82012457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).