(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol

C9H21NO — CID 88673624

IUPAC(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol
SMILESCC[C@@H](C)CC(C)(CO)NC
InChIInChI=1S/C9H21NO/c1-5-8(2)6-9(3,7-11)10-4/h8,10-11H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyGYJCPHSXXBRSEF-VEDVMXKPSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds5

About (4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol

(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol (PubChem CID 88673624) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol.

Molecular Properties

Compound Name(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol
PubChem CID88673624
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol
SMILESCC[C@@H](C)CC(C)(CO)NC
InChIInChI=1S/C9H21NO/c1-5-8(2)6-9(3,7-11)10-4/h8,10-11H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyGYJCPHSXXBRSEF-VEDVMXKPSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
2,2,4-trimethylhexan-1-ol
CID 14747424
2-methyl-2-(2-methylbutylamino)propane-1,3-diol
CID 75525332
2-methyl-2-(methylamino)-4-propoxypentan-1-ol
CID 64808553
2-methyl-2-(methylamino)-4-[methyl(pentan-2-yl)amino]pentan-1-ol
CID 64797735
2-methyl-2-(2-methylbutylamino)propan-1-ol
CID 43207248
4-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64826351
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64790359
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 107669189
2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64826092
N-tert-butyl-2,4-dimethylhexan-2-amine
CID 90827522
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 107402528

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol?
The IUPAC name of (4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol (CID 88673624) is (4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol.
What is the SMILES notation for (4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol?
The canonical SMILES for (4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol is CC[C@@H](C)CC(C)(CO)NC.
What is the InChIKey of (4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol?
The InChIKey is GYJCPHSXXBRSEF-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-8(2)6-9(3,7-11)10-4/h8,10-11H,5-7H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of (4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol?
(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol is sourced from PubChem (CID 88673624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).