1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol

C14H32N2O2 — CID 55004747

IUPAC1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(CCOC)C(CC)CC
InChIInChI=1S/C14H32N2O2/c1-5-8-15-11-14(17)12-16(9-10-18-4)13(6-2)7-3/h13-15,17H,5-12H2,1-4H3
InChIKeyLEFRFNPWQCOPJW-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.48
Rot. Bonds12

About 1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol

1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol (PubChem CID 55004747) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
PubChem CID55004747
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(CCOC)C(CC)CC
InChIInChI=1S/C14H32N2O2/c1-5-8-15-11-14(17)12-16(9-10-18-4)13(6-2)7-3/h13-15,17H,5-12H2,1-4H3
InChIKeyLEFRFNPWQCOPJW-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
CID 54985437
1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 115475131
1-[3-methoxypropyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 62983589
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
CID 79409379
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 115474821
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557564

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol (CID 55004747) is 1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol is CCCNCC(O)CN(CCOC)C(CC)CC.
What is the InChIKey of 1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol?
The InChIKey is LEFRFNPWQCOPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-5-8-15-11-14(17)12-16(9-10-18-4)13(6-2)7-3/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol?
1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol has a molecular weight of 260.42 g/mol, XLogP of 1.48, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 55004747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).