(16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane

C13H24N4 — CID 101135242

IUPAC(16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane
SMILESC1CN2CCCN3CCN4CCCN(C1)[C@@H]4[C@H]23
InChIInChI=1S/C13H24N4/c1-4-14-6-2-8-16-10-11-17-9-3-7-15(5-1)13(17)12(14)16/h12-13H,1-11H2/t12-,13+
InChIKeyZAVOUJVICUCFTO-BETUJISGSA-N
MW236.36 g/mol
LogP0.07
Rot. Bonds

About (16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane

(16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane (PubChem CID 101135242) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane.

Molecular Properties

Compound Name(16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane
PubChem CID101135242
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane
SMILESC1CN2CCCN3CCN4CCCN(C1)[C@@H]4[C@H]23
InChIInChI=1S/C13H24N4/c1-4-14-6-2-8-16-10-11-17-9-3-7-15(5-1)13(17)12(14)16/h12-13H,1-11H2/t12-,13+
InChIKeyZAVOUJVICUCFTO-BETUJISGSA-N
XLogP0.07
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5,9,12-tetrazatetracyclo[7.6.2.05,16.012,17]heptadecane
CID 54122759
methane;oxaldehyde;1,4,8,11-tetrazacyclotetradecane;1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadecane
CID 161364617
(2S,3S,15R,16R)-1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadecane-2,3-dicarbonitrile
CID 15189470
1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane
CID 20667383
(6S,15R,16S)-6-(2-hydroxyethyl)-1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadecan-5-one;(6R,15S,16R)-6-(2-hydroxyethyl)-1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadecan-5-one
CID 139093199
(1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane
CID 10867261
4-(azetidin-1-yl)piperidin-1-ium
CID 86311971
3-(azetidin-1-yl)-1-methylazetidine;ethane
CID 170747536
6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane
CID 158062816
CID 175727151
CID 175727151
1-cyclopropylpiperidine
CID 10909573
3-[4-(2,5-dioxopyrrolidin-3-yl)-1,4-diazepan-1-yl]pyrrolidine-2,5-dione
CID 5093773

Frequently Asked Questions

What is the IUPAC name of (16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane?
The IUPAC name of (16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane (CID 101135242) is (16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane.
What is the SMILES notation for (16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane?
The canonical SMILES for (16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane is C1CN2CCCN3CCN4CCCN(C1)[C@@H]4[C@H]23.
What is the InChIKey of (16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane?
The InChIKey is ZAVOUJVICUCFTO-BETUJISGSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-14-6-2-8-16-10-11-17-9-3-7-15(5-1)13(17)12(14)16/h12-13H,1-11H2/t12-,13+.
What are the key properties of (16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane?
(16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane has a molecular weight of 236.36 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane is sourced from PubChem (CID 101135242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).