4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol

C14H30N4O — CID 141005322

IUPAC4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol
SMILESCN1CCC(O)N2CCN(C)CCCN(CC1)CC2
InChIInChI=1S/C14H30N4O/c1-15-5-3-6-17-10-8-16(2)7-4-14(19)18(12-9-15)13-11-17/h14,19H,3-13H2,1-2H3
InChIKeyUGBITBTVVFVWOU-UHFFFAOYSA-N
MW270.42 g/mol
LogP-0.42
Rot. Bonds

About 4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol

4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol (PubChem CID 141005322) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol.

Molecular Properties

Compound Name4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol
PubChem CID141005322
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol
SMILESCN1CCC(O)N2CCN(C)CCCN(CC1)CC2
InChIInChI=1S/C14H30N4O/c1-15-5-3-6-17-10-8-16(2)7-4-14(19)18(12-9-15)13-11-17/h14,19H,3-13H2,1-2H3
InChIKeyUGBITBTVVFVWOU-UHFFFAOYSA-N
XLogP-0.42
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol?
The IUPAC name of 4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol (CID 141005322) is 4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol.
What is the SMILES notation for 4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol?
The canonical SMILES for 4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol is CN1CCC(O)N2CCN(C)CCCN(CC1)CC2.
What is the InChIKey of 4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol?
The InChIKey is UGBITBTVVFVWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-15-5-3-6-17-10-8-16(2)7-4-14(19)18(12-9-15)13-11-17/h14,19H,3-13H2,1-2H3.
What are the key properties of 4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol?
4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol has a molecular weight of 270.42 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-7-ol is sourced from PubChem (CID 141005322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).