2-methyl-4-(octan-4-ylamino)butan-2-ol

C13H29NO — CID 104926772

IUPAC2-methyl-4-(octan-4-ylamino)butan-2-ol
SMILESCCCCC(CCC)NCCC(C)(C)O
InChIInChI=1S/C13H29NO/c1-5-7-9-12(8-6-2)14-11-10-13(3,4)15/h12,14-15H,5-11H2,1-4H3
InChIKeyQHBZRFFAUSQIRZ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.10
Rot. Bonds9

About 2-methyl-4-(octan-4-ylamino)butan-2-ol

2-methyl-4-(octan-4-ylamino)butan-2-ol (PubChem CID 104926772) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-methyl-4-(octan-4-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(octan-4-ylamino)butan-2-ol
PubChem CID104926772
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-methyl-4-(octan-4-ylamino)butan-2-ol
SMILESCCCCC(CCC)NCCC(C)(C)O
InChIInChI=1S/C13H29NO/c1-5-7-9-12(8-6-2)14-11-10-13(3,4)15/h12,14-15H,5-11H2,1-4H3
InChIKeyQHBZRFFAUSQIRZ-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-fluoro-2-methyl-4-(pentadecan-8-ylamino)butan-2-ol
CID 166754108
3-(Nonan-2-ylamino)propan-1-ol
CID 278945
2-Methyl-4-[(1-methylethyl)amino]-2-butanol
CID 15889474
Dimethyl-n-decylaminoethanol
CID 87867610
1-[(Heptan-2-yl)amino]-2-methylpropan-2-ol
CID 276993
2-Methyl-1-[(octan-2-yl)amino]propan-2-ol
CID 277008
1-[2-(Propan-2-ylamino)ethyl]cyclohexan-1-ol
CID 15889475
3-Ethyl-6-(propan-2-ylamino)hexan-3-ol
CID 15889481
3-(Octan-3-ylamino)propan-1-ol
CID 22218500
3-(Decan-3-ylamino)propan-1-ol
CID 22218562
4-Piperidinol, 2,4,6-trimethyl-
CID 55287595
3-(Cyclohexylamino)-2-methylbutan-2-ol
CID 65332893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(octan-4-ylamino)butan-2-ol?
The IUPAC name of 2-methyl-4-(octan-4-ylamino)butan-2-ol (CID 104926772) is 2-methyl-4-(octan-4-ylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(octan-4-ylamino)butan-2-ol?
The canonical SMILES for 2-methyl-4-(octan-4-ylamino)butan-2-ol is CCCCC(CCC)NCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-(octan-4-ylamino)butan-2-ol?
The InChIKey is QHBZRFFAUSQIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-7-9-12(8-6-2)14-11-10-13(3,4)15/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 2-methyl-4-(octan-4-ylamino)butan-2-ol?
2-methyl-4-(octan-4-ylamino)butan-2-ol has a molecular weight of 215.38 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(octan-4-ylamino)butan-2-ol is sourced from PubChem (CID 104926772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).