(9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide

C14H27NO2 — CID 123166371

IUPAC(9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide
SMILESC[C@H](O)[C@H](C)CC=CCCCCC(=O)N(C)C
InChIInChI=1S/C14H27NO2/c1-12(13(2)16)10-8-6-5-7-9-11-14(17)15(3)4/h6,8,12-13,16H,5,7,9-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyAAHFTDGJDXPGIB-OLZOCXBDSA-N
MW241.37 g/mol
LogP2.60
Rot. Bonds8

About (9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide

(9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide (PubChem CID 123166371) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide.

Molecular Properties

Compound Name(9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide
PubChem CID123166371
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide
SMILESC[C@H](O)[C@H](C)CC=CCCCCC(=O)N(C)C
InChIInChI=1S/C14H27NO2/c1-12(13(2)16)10-8-6-5-7-9-11-14(17)15(3)4/h6,8,12-13,16H,5,7,9-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyAAHFTDGJDXPGIB-OLZOCXBDSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide?
The IUPAC name of (9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide (CID 123166371) is (9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide.
What is the SMILES notation for (9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide?
The canonical SMILES for (9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide is C[C@H](O)[C@H](C)CC=CCCCCC(=O)N(C)C.
What is the InChIKey of (9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide?
The InChIKey is AAHFTDGJDXPGIB-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(13(2)16)10-8-6-5-7-9-11-14(17)15(3)4/h6,8,12-13,16H,5,7,9-11H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of (9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide?
(9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide has a molecular weight of 241.37 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide is sourced from PubChem (CID 123166371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).