trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol

C14H30N4O — CID 11076512

IUPACtrans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCNCCNCCNCC1
InChIInChI=1S/C14H30N4O/c19-14-4-2-1-3-13(14)18-11-9-16-7-5-15-6-8-17-10-12-18/h13-17,19H,1-12H2/t13-,14-/m0/s1
InChIKeyCKOAICAMEYFWNM-KBPBESRZSA-N
MW270.42 g/mol
LogP-0.63
Rot. Bonds1

About trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol (PubChem CID 11076512) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol
PubChem CID11076512
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Nametrans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCNCCNCCNCC1
InChIInChI=1S/C14H30N4O/c19-14-4-2-1-3-13(14)18-11-9-16-7-5-15-6-8-17-10-12-18/h13-17,19H,1-12H2/t13-,14-/m0/s1
InChIKeyCKOAICAMEYFWNM-KBPBESRZSA-N
XLogP-0.63
TPSA59.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol (CID 11076512) is trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1N1CCNCCNCCNCC1.
What is the InChIKey of trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol?
The InChIKey is CKOAICAMEYFWNM-KBPBESRZSA-N. The full InChI is InChI=1S/C14H30N4O/c19-14-4-2-1-3-13(14)18-11-9-16-7-5-15-6-8-17-10-12-18/h13-17,19H,1-12H2/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol has a molecular weight of 270.42 g/mol, XLogP of -0.63, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 11076512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).