(2S)-3-methyl-6-(methylamino)hexan-2-ol

C8H19NO — CID 172612880

IUPAC(2S)-3-methyl-6-(methylamino)hexan-2-ol
SMILESCNCCCC(C)[C@H](C)O
InChIInChI=1S/C8H19NO/c1-7(8(2)10)5-4-6-9-3/h7-10H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyMBADVRPSZFGAPX-MQWKRIRWSA-N
MW145.25 g/mol
LogP1.00
Rot. Bonds5

About (2S)-3-methyl-6-(methylamino)hexan-2-ol

(2S)-3-methyl-6-(methylamino)hexan-2-ol (PubChem CID 172612880) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2S)-3-methyl-6-(methylamino)hexan-2-ol.

Molecular Properties

Compound Name(2S)-3-methyl-6-(methylamino)hexan-2-ol
PubChem CID172612880
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2S)-3-methyl-6-(methylamino)hexan-2-ol
SMILESCNCCCC(C)[C@H](C)O
InChIInChI=1S/C8H19NO/c1-7(8(2)10)5-4-6-9-3/h7-10H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyMBADVRPSZFGAPX-MQWKRIRWSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-4-methylhexane-1,5-diol
CID 124511959
4-fluoro-N-methylpentan-1-amine
CID 123463233
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
(5R)-N,5,6,8-tetramethylnonan-1-amine
CID 174103380
(3R)-7-amino-3-methylheptan-2-ol
CID 126613359
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
N,N',2-trimethylpentane-1,5-diamine
CID 18952778
butane;ethane;3-methylheptan-2-ol
CID 176696047
10-(methylamino)decane-1,1-diol
CID 151651816
N,5-dimethylhexan-1-amine;ethane
CID 142540507
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
N',2-dimethylpentane-1,5-diamine;methanol;propane
CID 143231168

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-6-(methylamino)hexan-2-ol?
The IUPAC name of (2S)-3-methyl-6-(methylamino)hexan-2-ol (CID 172612880) is (2S)-3-methyl-6-(methylamino)hexan-2-ol.
What is the SMILES notation for (2S)-3-methyl-6-(methylamino)hexan-2-ol?
The canonical SMILES for (2S)-3-methyl-6-(methylamino)hexan-2-ol is CNCCCC(C)[C@H](C)O.
What is the InChIKey of (2S)-3-methyl-6-(methylamino)hexan-2-ol?
The InChIKey is MBADVRPSZFGAPX-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(8(2)10)5-4-6-9-3/h7-10H,4-6H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of (2S)-3-methyl-6-(methylamino)hexan-2-ol?
(2S)-3-methyl-6-(methylamino)hexan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-6-(methylamino)hexan-2-ol is sourced from PubChem (CID 172612880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).