4-(undecan-6-ylamino)butan-2-ol

C15H33NO — CID 64927734

IUPAC4-(undecan-6-ylamino)butan-2-ol
SMILESCCCCCC(CCCCC)NCCC(C)O
InChIInChI=1S/C15H33NO/c1-4-6-8-10-15(11-9-7-5-2)16-13-12-14(3)17/h14-17H,4-13H2,1-3H3
InChIKeyXNOBSJHZQVGKFE-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.88
Rot. Bonds12

About 4-(undecan-6-ylamino)butan-2-ol

4-(undecan-6-ylamino)butan-2-ol (PubChem CID 64927734) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 4-(undecan-6-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-(undecan-6-ylamino)butan-2-ol
PubChem CID64927734
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name4-(undecan-6-ylamino)butan-2-ol
SMILESCCCCCC(CCCCC)NCCC(C)O
InChIInChI=1S/C15H33NO/c1-4-6-8-10-15(11-9-7-5-2)16-13-12-14(3)17/h14-17H,4-13H2,1-3H3
InChIKeyXNOBSJHZQVGKFE-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.88
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

(2R)-4-[[(2R)-heptan-2-yl]amino]butan-2-ol
CID 97030460
(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol
CID 97030461
(2S)-4-[[(2R)-octan-2-yl]amino]butan-2-ol
CID 96784182
(2R)-1-(nonadecan-10-ylamino)propan-2-ol
CID 98515290
(2R)-heptan-2-ol
CID 6992611
heptane;heptan-2-ol
CID 157400640
heptan-2-ol;hydroxylamine
CID 88625997
docosan-2-ol
CID 14151025
(2S)-heptan-2-ol;hydrochloride
CID 141119609
octan-2-ol
CID 20083
henicosan-2-ol
CID 14151023
(2S)-octadecan-2-ol
CID 25022019

Frequently Asked Questions

What is the IUPAC name of 4-(undecan-6-ylamino)butan-2-ol?
The IUPAC name of 4-(undecan-6-ylamino)butan-2-ol (CID 64927734) is 4-(undecan-6-ylamino)butan-2-ol.
What is the SMILES notation for 4-(undecan-6-ylamino)butan-2-ol?
The canonical SMILES for 4-(undecan-6-ylamino)butan-2-ol is CCCCCC(CCCCC)NCCC(C)O.
What is the InChIKey of 4-(undecan-6-ylamino)butan-2-ol?
The InChIKey is XNOBSJHZQVGKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-6-8-10-15(11-9-7-5-2)16-13-12-14(3)17/h14-17H,4-13H2,1-3H3.
What are the key properties of 4-(undecan-6-ylamino)butan-2-ol?
4-(undecan-6-ylamino)butan-2-ol has a molecular weight of 243.43 g/mol, XLogP of 3.88, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(undecan-6-ylamino)butan-2-ol is sourced from PubChem (CID 64927734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).