(2S)-3-methyl-2-(octylamino)butan-1-ol

C13H29NO — CID 79248963

IUPAC(2S)-3-methyl-2-(octylamino)butan-1-ol
SMILESCCCCCCCCN[C@H](CO)C(C)C
InChIInChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-14-13(11-15)12(2)3/h12-15H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyIETOEZKOLYDXHC-CYBMUJFWSA-N
MW215.38 g/mol
LogP2.95
Rot. Bonds10

About (2S)-3-methyl-2-(octylamino)butan-1-ol

(2S)-3-methyl-2-(octylamino)butan-1-ol (PubChem CID 79248963) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (2S)-3-methyl-2-(octylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(octylamino)butan-1-ol
PubChem CID79248963
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(2S)-3-methyl-2-(octylamino)butan-1-ol
SMILESCCCCCCCCN[C@H](CO)C(C)C
InChIInChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-14-13(11-15)12(2)3/h12-15H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyIETOEZKOLYDXHC-CYBMUJFWSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.95
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

4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
(2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol
CID 165355432
2-N-dodecyl-3-methylbutane-1,2-diamine
CID 106345395
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
4-(icosylamino)-2-(nonadecylamino)butane-1,3-diol
CID 88682838
(2S)-2-(decylamino)-4-methylpentan-1-ol
CID 98495932
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
2-(hexylamino)pentan-1-ol
CID 155661034

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(octylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(octylamino)butan-1-ol (CID 79248963) is (2S)-3-methyl-2-(octylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(octylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(octylamino)butan-1-ol is CCCCCCCCN[C@H](CO)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(octylamino)butan-1-ol?
The InChIKey is IETOEZKOLYDXHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-14-13(11-15)12(2)3/h12-15H,4-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(octylamino)butan-1-ol?
(2S)-3-methyl-2-(octylamino)butan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(octylamino)butan-1-ol is sourced from PubChem (CID 79248963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).