ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol

C10H23NO — CID 171517742

IUPACethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol
SMILESCC.CC/C(=N\C)[C@@H](C)[C@@H](C)O
InChIInChI=1S/C8H17NO.C2H6/c1-5-8(9-4)6(2)7(3)10;1-2/h6-7,10H,5H2,1-4H3;1-2H3/b9-8+;/t6-,7+;/m0./s1
InChIKeyGPCXZIPUMODKSU-POXAYRFRSA-N
MW173.30 g/mol
LogP2.51
Rot. Bonds3

About ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol

ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol (PubChem CID 171517742) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol.

Molecular Properties

Compound Nameethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol
PubChem CID171517742
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Nameethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol
SMILESCC.CC/C(=N\C)[C@@H](C)[C@@H](C)O
InChIInChI=1S/C8H17NO.C2H6/c1-5-8(9-4)6(2)7(3)10;1-2/h6-7,10H,5H2,1-4H3;1-2H3/b9-8+;/t6-,7+;/m0./s1
InChIKeyGPCXZIPUMODKSU-POXAYRFRSA-N
XLogP2.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Tert-butylimino-4-methylpentan-1-ol
CID 18316186
(4-Hydroxy-6-methylheptan-2-ylidene)-dimethylazanium
CID 20695665
3-Methyl-4-methyliminopentan-2-ol
CID 59096523
(3S)-2-imino-5-methylheptan-3-ol
CID 117730106
3-(3-Ethylhexan-2-ylimino)-2-methylbutan-1-ol
CID 123257845
2-Methyl-3-methyliminocyclopentan-1-ol
CID 123648806
1-(5-Methylhexan-3-ylideneamino)propan-2-ol
CID 126627667
5-Methyl-6-methyliminoheptan-2-ol
CID 130222382
4-Ethanimidoyl-2-methylheptan-3-ol
CID 135174480
(2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol
CID 142076978
3-(4-Ethylhexan-2-ylideneamino)propan-1-ol
CID 142873055
2-Cyclopropyl-4-methyliminopentan-1-ol
CID 145467250

Frequently Asked Questions

What is the IUPAC name of ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol?
The IUPAC name of ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol (CID 171517742) is ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol.
What is the SMILES notation for ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol?
The canonical SMILES for ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol is CC.CC/C(=N\C)[C@@H](C)[C@@H](C)O.
What is the InChIKey of ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol?
The InChIKey is GPCXZIPUMODKSU-POXAYRFRSA-N. The full InChI is InChI=1S/C8H17NO.C2H6/c1-5-8(9-4)6(2)7(3)10;1-2/h6-7,10H,5H2,1-4H3;1-2H3/b9-8+;/t6-,7+;/m0./s1.
What are the key properties of ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol?
ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol is sourced from PubChem (CID 171517742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).