1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol

C17H37N3O3 — CID 142476457

IUPAC1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol
SMILESCCCN1CCN(CC(C)O)CCOCCN(CC(C)O)CC1
InChIInChI=1S/C17H37N3O3/c1-4-5-18-6-8-19(14-16(2)21)10-12-23-13-11-20(9-7-18)15-17(3)22/h16-17,21-22H,4-15H2,1-3H3
InChIKeyYFOAJUMZTNAADN-UHFFFAOYSA-N
MW331.50 g/mol
LogP0.09
Rot. Bonds6

About 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol

1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol (PubChem CID 142476457) has the molecular formula C17H37N3O3 and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol
PubChem CID142476457
Molecular FormulaC17H37N3O3
Molecular Weight331.50 g/mol
Exact Mass331.28
IUPAC Name1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol
SMILESCCCN1CCN(CC(C)O)CCOCCN(CC(C)O)CC1
InChIInChI=1S/C17H37N3O3/c1-4-5-18-6-8-19(14-16(2)21)10-12-23-13-11-20(9-7-18)15-17(3)22/h16-17,21-22H,4-15H2,1-3H3
InChIKeyYFOAJUMZTNAADN-UHFFFAOYSA-N
XLogP0.09
TPSA59.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol with MolForge

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Related Compounds

4-propylmorpholine;hydrobromide
CID 70540609
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
ethane;4-propylmorpholine
CID 143004992
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
CID 68598978
CID 68598978
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
butane;4-(2-methylpropyl)morpholine
CID 155751822
ethyl acetate;4-propylmorpholine
CID 160534633
1-(4-propylpiperazin-1-yl)pentan-2-ol
CID 62043435
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449

Frequently Asked Questions

What is the IUPAC name of 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol?
The IUPAC name of 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol (CID 142476457) is 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol.
What is the SMILES notation for 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol?
The canonical SMILES for 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol is CCCN1CCN(CC(C)O)CCOCCN(CC(C)O)CC1.
What is the InChIKey of 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol?
The InChIKey is YFOAJUMZTNAADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O3/c1-4-5-18-6-8-19(14-16(2)21)10-12-23-13-11-20(9-7-18)15-17(3)22/h16-17,21-22H,4-15H2,1-3H3.
What are the key properties of 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol?
1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol has a molecular weight of 331.50 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol is sourced from PubChem (CID 142476457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).