1-[bis(2-hydroxybutyl)amino]butan-2-ol

C12H27NO3 — CID 17024

IUPAC1-[bis(2-hydroxybutyl)amino]butan-2-ol
SMILESCCC(O)CN(CC(O)CC)CC(O)CC
InChIInChI=1S/C12H27NO3/c1-4-10(14)7-13(8-11(15)5-2)9-12(16)6-3/h10-12,14-16H,4-9H2,1-3H3
InChIKeyBFIAIMMAHAIVFT-UHFFFAOYSA-N
MW233.35 g/mol
LogP0.60
Rot. Bonds9

About 1-[bis(2-hydroxybutyl)amino]butan-2-ol

1-[bis(2-hydroxybutyl)amino]butan-2-ol (PubChem CID 17024) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[bis(2-hydroxybutyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxybutyl)amino]butan-2-ol
PubChem CID17024
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-[bis(2-hydroxybutyl)amino]butan-2-ol
SMILESCCC(O)CN(CC(O)CC)CC(O)CC
InChIInChI=1S/C12H27NO3/c1-4-10(14)7-13(8-11(15)5-2)9-12(16)6-3/h10-12,14-16H,4-9H2,1-3H3
InChIKeyBFIAIMMAHAIVFT-UHFFFAOYSA-N
XLogP0.60
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxybutyl)amino]butan-2-ol?
The IUPAC name of 1-[bis(2-hydroxybutyl)amino]butan-2-ol (CID 17024) is 1-[bis(2-hydroxybutyl)amino]butan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxybutyl)amino]butan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxybutyl)amino]butan-2-ol is CCC(O)CN(CC(O)CC)CC(O)CC.
What is the InChIKey of 1-[bis(2-hydroxybutyl)amino]butan-2-ol?
The InChIKey is BFIAIMMAHAIVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-4-10(14)7-13(8-11(15)5-2)9-12(16)6-3/h10-12,14-16H,4-9H2,1-3H3.
What are the key properties of 1-[bis(2-hydroxybutyl)amino]butan-2-ol?
1-[bis(2-hydroxybutyl)amino]butan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 0.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxybutyl)amino]butan-2-ol is sourced from PubChem (CID 17024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).