1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol

C14H32N4O2 — CID 15491777

IUPAC1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
SMILESCC(O)CN1CCNCCN(CC(C)O)CCNCC1
InChIInChI=1S/C14H32N4O2/c1-13(19)11-17-7-3-15-5-9-18(12-14(2)20)10-6-16-4-8-17/h13-16,19-20H,3-12H2,1-2H3
InChIKeyZCLPWVPHDZYNKL-UHFFFAOYSA-N
MW288.44 g/mol
LogP-1.46
Rot. Bonds4

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

1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol (PubChem CID 15491777) has the molecular formula C14H32N4O2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
PubChem CID15491777
Molecular FormulaC14H32N4O2
Molecular Weight288.44 g/mol
Exact Mass288.25
IUPAC Name1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
SMILESCC(O)CN1CCNCCN(CC(C)O)CCNCC1
InChIInChI=1S/C14H32N4O2/c1-13(19)11-17-7-3-15-5-9-18(12-14(2)20)10-6-16-4-8-17/h13-16,19-20H,3-12H2,1-2H3
InChIKeyZCLPWVPHDZYNKL-UHFFFAOYSA-N
XLogP-1.46
TPSA71.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

Ivospemin
CID 9883501
N-(2-Hydroxypropyl)-1,2-ethanediamine
CID 101594
(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
2-Propanol, 1,1'-(1,2-ethanediyldiimino)bis-
CID 102964
alpha-Methyl-1-piperazineethanol
CID 258198
(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108
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
3-[2-[(2-Hydroxy-1-methyl-propyl)amino]ethylamino]butan-2-ol
CID 469988
2-Propanol, 1,1'-[[2-[(2-hydroxypropyl)amino]ethyl]imino]bis-
CID 112057
4,7,10,13-Tetraazapentadecan-2-ol, 15-amino-
CID 170757

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol?
The IUPAC name of 1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol (CID 15491777) is 1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol.
What is the SMILES notation for 1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol?
The canonical SMILES for 1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol is CC(O)CN1CCNCCN(CC(C)O)CCNCC1.
What is the InChIKey of 1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol?
The InChIKey is ZCLPWVPHDZYNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2/c1-13(19)11-17-7-3-15-5-9-18(12-14(2)20)10-6-16-4-8-17/h13-16,19-20H,3-12H2,1-2H3.
What are the key properties of 1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol?
1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol has a molecular weight of 288.44 g/mol, XLogP of -1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol is sourced from PubChem (CID 15491777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).