1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol

C15H25NO3 — CID 153440075

IUPAC1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
SMILESCC(C)C(O)C(O)C(O)CN(C)Cc1ccccc1
InChIInChI=1S/C15H25NO3/c1-11(2)14(18)15(19)13(17)10-16(3)9-12-7-5-4-6-8-12/h4-8,11,13-15,17-19H,9-10H2,1-3H3
InChIKeyHZZDDBQCUXXMMF-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.86
Rot. Bonds7

About 1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol

1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol (PubChem CID 153440075) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
PubChem CID153440075
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
SMILESCC(C)C(O)C(O)C(O)CN(C)Cc1ccccc1
InChIInChI=1S/C15H25NO3/c1-11(2)14(18)15(19)13(17)10-16(3)9-12-7-5-4-6-8-12/h4-8,11,13-15,17-19H,9-10H2,1-3H3
InChIKeyHZZDDBQCUXXMMF-UHFFFAOYSA-N
XLogP0.86
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383331
(3R)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383329
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
6-[(4-butan-2-ylphenyl)methyl-methylamino]hexane-1,2,3,4,5-pentol
CID 54144171
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
1-[benzyl(hydroxy)amino]propan-2-ol
CID 14957155
1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 86882554
N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
CID 162416433
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol
CID 124808457

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol?
The IUPAC name of 1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol (CID 153440075) is 1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol?
The canonical SMILES for 1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol is CC(C)C(O)C(O)C(O)CN(C)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol?
The InChIKey is HZZDDBQCUXXMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)14(18)15(19)13(17)10-16(3)9-12-7-5-4-6-8-12/h4-8,11,13-15,17-19H,9-10H2,1-3H3.
What are the key properties of 1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol?
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol has a molecular weight of 267.37 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol is sourced from PubChem (CID 153440075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).