9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one

C14H29NO2 — CID 58454388

IUPAC9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one
SMILESCC(=O)CCCC(C)(C)CC(C)CN[C@@H](C)O
InChIInChI=1S/C14H29NO2/c1-11(10-15-13(3)17)9-14(4,5)8-6-7-12(2)16/h11,13,15,17H,6-10H2,1-5H3/t11?,13-/m1/s1
InChIKeyISSZHGGIZMMOMF-GLGOKHISSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds9

About 9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one

9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one (PubChem CID 58454388) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one.

Molecular Properties

Compound Name9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one
PubChem CID58454388
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one
SMILESCC(=O)CCCC(C)(C)CC(C)CN[C@@H](C)O
InChIInChI=1S/C14H29NO2/c1-11(10-15-13(3)17)9-14(4,5)8-6-7-12(2)16/h11,13,15,17H,6-10H2,1-5H3/t11?,13-/m1/s1
InChIKeyISSZHGGIZMMOMF-GLGOKHISSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one?
The IUPAC name of 9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one (CID 58454388) is 9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one.
What is the SMILES notation for 9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one?
The canonical SMILES for 9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one is CC(=O)CCCC(C)(C)CC(C)CN[C@@H](C)O.
What is the InChIKey of 9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one?
The InChIKey is ISSZHGGIZMMOMF-GLGOKHISSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(10-15-13(3)17)9-14(4,5)8-6-7-12(2)16/h11,13,15,17H,6-10H2,1-5H3/t11?,13-/m1/s1.
What are the key properties of 9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one?
9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one has a molecular weight of 243.39 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(1R)-1-hydroxyethyl]amino]-6,6,8-trimethylnonan-2-one is sourced from PubChem (CID 58454388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).