5-[(2,6-dimethyloxan-4-yl)amino]pentanamide

C12H24N2O2 — CID 106234819

IUPAC5-[(2,6-dimethyloxan-4-yl)amino]pentanamide
SMILESCC1CC(NCCCCC(N)=O)CC(C)O1
InChIInChI=1S/C12H24N2O2/c1-9-7-11(8-10(2)16-9)14-6-4-3-5-12(13)15/h9-11,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyRYBDKCLEMMYLSH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds6

About 5-[(2,6-dimethyloxan-4-yl)amino]pentanamide

5-[(2,6-dimethyloxan-4-yl)amino]pentanamide (PubChem CID 106234819) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-[(2,6-dimethyloxan-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(2,6-dimethyloxan-4-yl)amino]pentanamide
PubChem CID106234819
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-[(2,6-dimethyloxan-4-yl)amino]pentanamide
SMILESCC1CC(NCCCCC(N)=O)CC(C)O1
InChIInChI=1S/C12H24N2O2/c1-9-7-11(8-10(2)16-9)14-6-4-3-5-12(13)15/h9-11,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyRYBDKCLEMMYLSH-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol
CID 107267685
5-[(2,6-dimethyloxan-4-yl)amino]pentanenitrile
CID 115906976
4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol
CID 75525282
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
CID 103254539
3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 99851423
N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine
CID 115904659
5-[(1,1-dioxothian-4-yl)amino]pentanamide
CID 106233333
N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine
CID 115907336
5-(thiolan-3-ylamino)pentanamide
CID 106233737
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethyloxan-4-yl)amino]pentanamide?
The IUPAC name of 5-[(2,6-dimethyloxan-4-yl)amino]pentanamide (CID 106234819) is 5-[(2,6-dimethyloxan-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(2,6-dimethyloxan-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(2,6-dimethyloxan-4-yl)amino]pentanamide is CC1CC(NCCCCC(N)=O)CC(C)O1.
What is the InChIKey of 5-[(2,6-dimethyloxan-4-yl)amino]pentanamide?
The InChIKey is RYBDKCLEMMYLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-7-11(8-10(2)16-9)14-6-4-3-5-12(13)15/h9-11,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 5-[(2,6-dimethyloxan-4-yl)amino]pentanamide?
5-[(2,6-dimethyloxan-4-yl)amino]pentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethyloxan-4-yl)amino]pentanamide is sourced from PubChem (CID 106234819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).