1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol

C19H43N5O — CID 10926411

IUPAC1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol
SMILESCCCCN(CCCC)CC(O)CN1CCNCCNCCNCC1
InChIInChI=1S/C19H43N5O/c1-3-5-13-23(14-6-4-2)17-19(25)18-24-15-11-21-9-7-20-8-10-22-12-16-24/h19-22,25H,3-18H2,1-2H3
InChIKeyNGGOBOFCMOOZJB-UHFFFAOYSA-N
MW357.59 g/mol
LogP0.33
Rot. Bonds10

About 1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol

1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol (PubChem CID 10926411) has the molecular formula C19H43N5O and a molecular weight of 357.59 g/mol. Its IUPAC name is 1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol
PubChem CID10926411
Molecular FormulaC19H43N5O
Molecular Weight357.59 g/mol
Exact Mass357.35
IUPAC Name1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol
SMILESCCCCN(CCCC)CC(O)CN1CCNCCNCCNCC1
InChIInChI=1S/C19H43N5O/c1-3-5-13-23(14-6-4-2)17-19(25)18-24-15-11-21-9-7-20-8-10-22-12-16-24/h19-22,25H,3-18H2,1-2H3
InChIKeyNGGOBOFCMOOZJB-UHFFFAOYSA-N
XLogP0.33
TPSA62.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Ivospemin
CID 9883501
(2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol
CID 3075354
4-(Ethylamino)-1-[4-[[4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol
CID 9948912
(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108
2-Propanol, 1,1'-(1,2-ethanediyldiimino)bis-
CID 102964
2-Propanol, 1-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]-
CID 122403
(2R)-1-(ethylamino)-3-[3-[[(2R)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10740890
2-[4-[4-[4-[4-(Ethylamino)butylamino]butylamino]butylamino]butylamino]ethanol
CID 490703
2-Propanol, 1,1'-[[2-[(2-hydroxypropyl)amino]ethyl]imino]bis-
CID 112057
4,7,10,13-Tetraazapentadecan-2-ol, 15-amino-
CID 170757
2-Propanol, 1,1',1'',1'''-[iminobis(2,1-ethanediylnitrilo)]tetrakis-
CID 53968111
1,3-Bis((2-aminoethyl)amino)-2-propanol
CID 5219727

Frequently Asked Questions

What is the IUPAC name of 1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol?
The IUPAC name of 1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol (CID 10926411) is 1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol.
What is the SMILES notation for 1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol?
The canonical SMILES for 1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol is CCCCN(CCCC)CC(O)CN1CCNCCNCCNCC1.
What is the InChIKey of 1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol?
The InChIKey is NGGOBOFCMOOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N5O/c1-3-5-13-23(14-6-4-2)17-19(25)18-24-15-11-21-9-7-20-8-10-22-12-16-24/h19-22,25H,3-18H2,1-2H3.
What are the key properties of 1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol?
1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol has a molecular weight of 357.59 g/mol, XLogP of 0.33, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol is sourced from PubChem (CID 10926411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).