1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol

C15H28N2O3 — CID 60634350

IUPAC1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCCN(CC)CCCNCC(O)COCc1ccco1
InChIInChI=1S/C15H28N2O3/c1-3-17(4-2)9-6-8-16-11-14(18)12-19-13-15-7-5-10-20-15/h5,7,10,14,16,18H,3-4,6,8-9,11-13H2,1-2H3
InChIKeyCBBVBQKDBHZDGL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.48
Rot. Bonds12

About 1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol

1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 60634350) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID60634350
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCCN(CC)CCCNCC(O)COCc1ccco1
InChIInChI=1S/C15H28N2O3/c1-3-17(4-2)9-6-8-16-11-14(18)12-19-13-15-7-5-10-20-15/h5,7,10,14,16,18H,3-4,6,8-9,11-13H2,1-2H3
InChIKeyCBBVBQKDBHZDGL-UHFFFAOYSA-N
XLogP1.48
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756661
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide
CID 4830564
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292
1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 54914081

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 60634350) is 1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol is CCN(CC)CCCNCC(O)COCc1ccco1.
What is the InChIKey of 1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is CBBVBQKDBHZDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-17(4-2)9-6-8-16-11-14(18)12-19-13-15-7-5-10-20-15/h5,7,10,14,16,18H,3-4,6,8-9,11-13H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 1.48, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60634350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).