(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride

C15H27ClN2 — CID 169440912

IUPAC(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
SMILESC1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]2C1.Cl
InChIInChI=1S/C15H26N2.ClH/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;/h12-15H,1-11H2;1H/t12-,13-,14+,15+;/m0./s1
InChIKeyRMSLOXMMNWLOAB-FFIJQSHZSA-N
MW270.85 g/mol
LogP2.77
Rot. Bonds

About (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride

(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride (PubChem CID 169440912) has the molecular formula C15H27ClN2 and a molecular weight of 270.85 g/mol. Its IUPAC name is (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride.

Molecular Properties

Compound Name(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
PubChem CID169440912
Molecular FormulaC15H27ClN2
Molecular Weight270.85 g/mol
Exact Mass270.19
IUPAC Name(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
SMILESC1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]2C1.Cl
InChIInChI=1S/C15H26N2.ClH/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;/h12-15H,1-11H2;1H/t12-,13-,14+,15+;/m0./s1
InChIKeyRMSLOXMMNWLOAB-FFIJQSHZSA-N
XLogP2.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.85
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride with MolForge

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Related Compounds

(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper
CID 24805328
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
CID 11963882
(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
CID 162992981
(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 76970776
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 72710652
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6-thione
CID 11311607
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
CID 12914402
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-3-ene
CID 91753418
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 163184988

Frequently Asked Questions

What is the IUPAC name of (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride?
The IUPAC name of (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride (CID 169440912) is (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride.
What is the SMILES notation for (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride?
The canonical SMILES for (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride is C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]2C1.Cl.
What is the InChIKey of (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride?
The InChIKey is RMSLOXMMNWLOAB-FFIJQSHZSA-N. The full InChI is InChI=1S/C15H26N2.ClH/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;/h12-15H,1-11H2;1H/t12-,13-,14+,15+;/m0./s1.
What are the key properties of (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride?
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride has a molecular weight of 270.85 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride is sourced from PubChem (CID 169440912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).