(1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane

C10H20N4 — CID 10867261

IUPAC(1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane
SMILESC1CN[C@@H]2[C@@H]3NCCCN3CCN2C1
InChIInChI=1S/C10H20N4/c1-3-11-9-10-12-4-2-6-14(10)8-7-13(9)5-1/h9-12H,1-8H2/t9-,10+
InChIKeyUFIHNLZICKCIRN-AOOOYVTPSA-N
MW196.30 g/mol
LogP-0.76
Rot. Bonds

About (1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane

(1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane (PubChem CID 10867261) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane.

Molecular Properties

Compound Name(1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane
PubChem CID10867261
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane
SMILESC1CN[C@@H]2[C@@H]3NCCCN3CCN2C1
InChIInChI=1S/C10H20N4/c1-3-11-9-10-12-4-2-6-14(10)8-7-13(9)5-1/h9-12H,1-8H2/t9-,10+
InChIKeyUFIHNLZICKCIRN-AOOOYVTPSA-N
XLogP-0.76
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91218525
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2,3,4,6,7,8,9,9a-octahydropyrimido[1,2-a]pyrimidine-1-carboxylate
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CID 101135242
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2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine
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CID 64743687

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane?
The IUPAC name of (1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane (CID 10867261) is (1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane.
What is the SMILES notation for (1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane?
The canonical SMILES for (1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane is C1CN[C@@H]2[C@@H]3NCCCN3CCN2C1.
What is the InChIKey of (1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane?
The InChIKey is UFIHNLZICKCIRN-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-11-9-10-12-4-2-6-14(10)8-7-13(9)5-1/h9-12H,1-8H2/t9-,10+.
What are the key properties of (1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane?
(1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane has a molecular weight of 196.30 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane is sourced from PubChem (CID 10867261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).