2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol

C19H42N4O4 — CID 123455408

IUPAC2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol
SMILESCC(C)(CO)CN1CCN(CCO)CCN(CCO)CCN(CCO)CC1
InChIInChI=1S/C19H42N4O4/c1-19(2,18-27)17-23-9-7-21(12-15-25)5-3-20(11-14-24)4-6-22(8-10-23)13-16-26/h24-27H,3-18H2,1-2H3
InChIKeyRSVODOHTNACGMB-UHFFFAOYSA-N
MW390.57 g/mol
LogP-1.80
Rot. Bonds9

About 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol

2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol (PubChem CID 123455408) has the molecular formula C19H42N4O4 and a molecular weight of 390.57 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol
PubChem CID123455408
Molecular FormulaC19H42N4O4
Molecular Weight390.57 g/mol
Exact Mass390.32
IUPAC Name2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol
SMILESCC(C)(CO)CN1CCN(CCO)CCN(CCO)CCN(CCO)CC1
InChIInChI=1S/C19H42N4O4/c1-19(2,18-27)17-23-9-7-21(12-15-25)5-3-20(11-14-24)4-6-22(8-10-23)13-16-26/h24-27H,3-18H2,1-2H3
InChIKeyRSVODOHTNACGMB-UHFFFAOYSA-N
XLogP-1.80
TPSA93.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol
CID 62270177
2-[4-(5-methoxy-2,2,4,4-tetramethylpentyl)piperazin-1-yl]ethanol
CID 146339568
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[7-(carboxymethyl)-4-(2,2-dimethylpropyl)-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 155224329
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate
CID 15718283
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 115773133
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 115277765
3-(5-azaspiro[2.3]hexan-5-yl)-2,2-dimethylpropan-1-ol
CID 104550659
3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270034

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol (CID 123455408) is 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol is CC(C)(CO)CN1CCN(CCO)CCN(CCO)CCN(CCO)CC1.
What is the InChIKey of 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol?
The InChIKey is RSVODOHTNACGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N4O4/c1-19(2,18-27)17-23-9-7-21(12-15-25)5-3-20(11-14-24)4-6-22(8-10-23)13-16-26/h24-27H,3-18H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol?
2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol has a molecular weight of 390.57 g/mol, XLogP of -1.80, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol is sourced from PubChem (CID 123455408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).