(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride

C11H26ClNO — CID 171236853

IUPAC(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride
SMILESCC(C)(C)[C@H](O)C[C@H](N)C(C)(C)C.Cl
InChIInChI=1S/C11H25NO.ClH/c1-10(2,3)8(12)7-9(13)11(4,5)6;/h8-9,13H,7,12H2,1-6H3;1H/t8-,9+;/m0./s1
InChIKeyKMXNLVKCEJAPNU-OULXEKPRSA-N
MW223.79 g/mol
LogP2.58
Rot. Bonds2

About (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride

(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride (PubChem CID 171236853) has the molecular formula C11H26ClNO and a molecular weight of 223.79 g/mol. Its IUPAC name is (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride
PubChem CID171236853
Molecular FormulaC11H26ClNO
Molecular Weight223.79 g/mol
Exact Mass223.17
IUPAC Name(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride
SMILESCC(C)(C)[C@H](O)C[C@H](N)C(C)(C)C.Cl
InChIInChI=1S/C11H25NO.ClH/c1-10(2,3)8(12)7-9(13)11(4,5)6;/h8-9,13H,7,12H2,1-6H3;1H/t8-,9+;/m0./s1
InChIKeyKMXNLVKCEJAPNU-OULXEKPRSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.79
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclobutanol, 3-amino-2,2,4,4-tetramethyl-
CID 203376
(1-(1-Amino-2-methylpropyl)cyclobutyl)methanol
CID 112756727
3-Amino-2,2-dimethylcyclobutan-1-ol hydrochloride
CID 75481528
3-Amino-2,2,4,4-tetramethylcyclobutan-1-ol hydrochloride
CID 138987813
(5R)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol;hydrochloride
CID 11601118
Cyclobutanol, 3-amino-2,2-dimethyl-, hydrochloride (1:1), (1R,3S)-rel-
CID 91663854
(2R,4S)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride
CID 171236850
(3R,5S)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol;hydrochloride
CID 171237005
(2S,4S)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride
CID 171237155
(3S,5S)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol;hydrochloride
CID 171237311
(2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride
CID 171237461
(3S,5R)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol;hydrochloride
CID 171237617

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride?
The IUPAC name of (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride (CID 171236853) is (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride.
What is the SMILES notation for (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride?
The canonical SMILES for (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride is CC(C)(C)[C@H](O)C[C@H](N)C(C)(C)C.Cl.
What is the InChIKey of (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride?
The InChIKey is KMXNLVKCEJAPNU-OULXEKPRSA-N. The full InChI is InChI=1S/C11H25NO.ClH/c1-10(2,3)8(12)7-9(13)11(4,5)6;/h8-9,13H,7,12H2,1-6H3;1H/t8-,9+;/m0./s1.
What are the key properties of (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride?
(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride has a molecular weight of 223.79 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol;hydrochloride is sourced from PubChem (CID 171236853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).