1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol

C12H26N2O3 — CID 64604856

IUPAC1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol
SMILESCOCCC(C)NCC(O)CN1CCOCC1
InChIInChI=1S/C12H26N2O3/c1-11(3-6-16-2)13-9-12(15)10-14-4-7-17-8-5-14/h11-13,15H,3-10H2,1-2H3
InChIKeyOFIRMMVUSDXWNK-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.31
Rot. Bonds8

About 1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol

1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol (PubChem CID 64604856) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol
PubChem CID64604856
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol
SMILESCOCCC(C)NCC(O)CN1CCOCC1
InChIInChI=1S/C12H26N2O3/c1-11(3-6-16-2)13-9-12(15)10-14-4-7-17-8-5-14/h11-13,15H,3-10H2,1-2H3
InChIKeyOFIRMMVUSDXWNK-UHFFFAOYSA-N
XLogP-0.31
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 116500887
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
(2R)-1-(1-morpholin-4-ylpropan-2-ylamino)propan-2-ol
CID 106931969
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
1-morpholin-4-yl-3-(morpholin-4-ylamino)propan-2-ol
CID 83022230
1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904891
4-methoxy-2-(morpholin-4-ylmethyl)butan-1-ol
CID 117236832
N-(2,2-dimethoxyethyl)-1-morpholin-4-ylpropan-2-amine
CID 63684989
1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010171
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
CID 103254890
1-[(2-methylpropan-2-yl)oxyamino]-3-morpholin-4-ylpropan-2-ol
CID 82724312

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol (CID 64604856) is 1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol is COCCC(C)NCC(O)CN1CCOCC1.
What is the InChIKey of 1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is OFIRMMVUSDXWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(3-6-16-2)13-9-12(15)10-14-4-7-17-8-5-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol?
1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 246.35 g/mol, XLogP of -0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 64604856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).