2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol

C23H41NO3 — CID 19928719

IUPAC2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol
SMILESCC(NCCC(C)(O)CCCC(C)(O)CCCC(C)(C)O)c1ccccc1
InChIInChI=1S/C23H41NO3/c1-19(20-11-7-6-8-12-20)24-18-17-23(5,27)16-10-15-22(4,26)14-9-13-21(2,3)25/h6-8,11-12,19,24-27H,9-10,13-18H2,1-5H3
InChIKeyCEMVQCFOOZSPHL-UHFFFAOYSA-N
MW379.59 g/mol
LogP4.34
Rot. Bonds13

About 2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol

2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol (PubChem CID 19928719) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is 2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol.

Molecular Properties

Compound Name2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol
PubChem CID19928719
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Name2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol
SMILESCC(NCCC(C)(O)CCCC(C)(O)CCCC(C)(C)O)c1ccccc1
InChIInChI=1S/C23H41NO3/c1-19(20-11-7-6-8-12-20)24-18-17-23(5,27)16-10-15-22(4,26)14-9-13-21(2,3)25/h6-8,11-12,19,24-27H,9-10,13-18H2,1-5H3
InChIKeyCEMVQCFOOZSPHL-UHFFFAOYSA-N
XLogP4.34
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol
CID 111522029
4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81348060
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
CID 81405139
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
2,2-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanenitrile
CID 65252952
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
4,4-dimethoxy-N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387384
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251

Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol?
The IUPAC name of 2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol (CID 19928719) is 2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol.
What is the SMILES notation for 2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol?
The canonical SMILES for 2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol is CC(NCCC(C)(O)CCCC(C)(O)CCCC(C)(C)O)c1ccccc1.
What is the InChIKey of 2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol?
The InChIKey is CEMVQCFOOZSPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO3/c1-19(20-11-7-6-8-12-20)24-18-17-23(5,27)16-10-15-22(4,26)14-9-13-21(2,3)25/h6-8,11-12,19,24-27H,9-10,13-18H2,1-5H3.
What are the key properties of 2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol?
2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol has a molecular weight of 379.59 g/mol, XLogP of 4.34, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol is sourced from PubChem (CID 19928719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).