3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol

C12H26N2O2 — CID 64796406

IUPAC3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CN1CCOC(CC)C1
InChIInChI=1S/C12H26N2O2/c1-3-5-13-11(10-15)8-14-6-7-16-12(4-2)9-14/h11-13,15H,3-10H2,1-2H3
InChIKeyNYEDUBDJQCASCO-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds7

About 3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol

3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol (PubChem CID 64796406) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol
PubChem CID64796406
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CN1CCOC(CC)C1
InChIInChI=1S/C12H26N2O2/c1-3-5-13-11(10-15)8-14-6-7-16-12(4-2)9-14/h11-13,15H,3-10H2,1-2H3
InChIKeyNYEDUBDJQCASCO-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol
CID 64791300
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
(2S)-1-(2-ethylmorpholin-4-yl)propan-2-amine
CID 103934483
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64795537
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N-[2-(2-ethylmorpholin-4-yl)ethyl]butan-2-amine
CID 60853221
2,4-diethylmorpholine
CID 58988021
methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64811056
1-(2-ethyl-1,4-oxazepan-4-yl)-3-(propylamino)propan-2-ol
CID 114218337
2-(methylamino)-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64797801
4-(2-ethylmorpholin-4-yl)-3-methylbutan-1-amine
CID 80544103

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol (CID 64796406) is 3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol is CCCNC(CO)CN1CCOC(CC)C1.
What is the InChIKey of 3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol?
The InChIKey is NYEDUBDJQCASCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-5-13-11(10-15)8-14-6-7-16-12(4-2)9-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol?
3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64796406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).