3-[(2-butoxyethylamino)methyl]pentan-3-ol

C12H27NO2 — CID 65111219

IUPAC3-[(2-butoxyethylamino)methyl]pentan-3-ol
SMILESCCCCOCCNCC(O)(CC)CC
InChIInChI=1S/C12H27NO2/c1-4-7-9-15-10-8-13-11-12(14,5-2)6-3/h13-14H,4-11H2,1-3H3
InChIKeyQTSWPDAJVOAPBY-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.94
Rot. Bonds10

About 3-[(2-butoxyethylamino)methyl]pentan-3-ol

3-[(2-butoxyethylamino)methyl]pentan-3-ol (PubChem CID 65111219) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-[(2-butoxyethylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2-butoxyethylamino)methyl]pentan-3-ol
PubChem CID65111219
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-[(2-butoxyethylamino)methyl]pentan-3-ol
SMILESCCCCOCCNCC(O)(CC)CC
InChIInChI=1S/C12H27NO2/c1-4-7-9-15-10-8-13-11-12(14,5-2)6-3/h13-14H,4-11H2,1-3H3
InChIKeyQTSWPDAJVOAPBY-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol
CID 106309987
3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol
CID 114493779
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62598152
3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
CID 104562724
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
3-[2-(ethylamino)ethoxymethyl]pentan-3-ol
CID 106939555
1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol
CID 114447493
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725442
N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63859852
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442

Frequently Asked Questions

What is the IUPAC name of 3-[(2-butoxyethylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(2-butoxyethylamino)methyl]pentan-3-ol (CID 65111219) is 3-[(2-butoxyethylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2-butoxyethylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2-butoxyethylamino)methyl]pentan-3-ol is CCCCOCCNCC(O)(CC)CC.
What is the InChIKey of 3-[(2-butoxyethylamino)methyl]pentan-3-ol?
The InChIKey is QTSWPDAJVOAPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-7-9-15-10-8-13-11-12(14,5-2)6-3/h13-14H,4-11H2,1-3H3.
What are the key properties of 3-[(2-butoxyethylamino)methyl]pentan-3-ol?
3-[(2-butoxyethylamino)methyl]pentan-3-ol has a molecular weight of 217.35 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-butoxyethylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65111219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).