3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol

C12H27NO2 — CID 114493384

IUPAC3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNCC(O)(CC)CC
InChIInChI=1S/C12H27NO2/c1-4-11(7-8-14)9-13-10-12(15,5-2)6-3/h11,13-15H,4-10H2,1-3H3
InChIKeyCHSBFOPVKZZQRB-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.54
Rot. Bonds9

About 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol

3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol (PubChem CID 114493384) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol
PubChem CID114493384
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNCC(O)(CC)CC
InChIInChI=1S/C12H27NO2/c1-4-11(7-8-14)9-13-10-12(15,5-2)6-3/h11,13-15H,4-10H2,1-3H3
InChIKeyCHSBFOPVKZZQRB-UHFFFAOYSA-N
XLogP1.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diethyloctane-1,5-diol
CID 87743708
3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
CID 106932322
3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol
CID 65108452
2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol
CID 81418454
3-[(3-methylbutylamino)methyl]pentan-3-ol
CID 65107919
3,5,8-triethyldecane-1,10-diol
CID 87065848
3,5-diethylheptan-3-ol
CID 82929105
3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111279
3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol
CID 107442461
1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol
CID 115756804
2,5-diethyloctane-1,2-diol
CID 87744729
(3R)-3-ethylhexane-1,6-diol
CID 118889856

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol (CID 114493384) is 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol is CCC(CCO)CNCC(O)(CC)CC.
What is the InChIKey of 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol?
The InChIKey is CHSBFOPVKZZQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-11(7-8-14)9-13-10-12(15,5-2)6-3/h11,13-15H,4-10H2,1-3H3.
What are the key properties of 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol?
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.54, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 114493384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).