(1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane

C14H25N3 — CID 173466761

IUPAC(1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CCN2N[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
InChIInChI=1S/C14H25N3/c1-3-7-16-10-11-9-12(14(16)6-1)15-17-8-4-2-5-13(11)17/h11-15H,1-10H2/t11-,12+,13+,14-/m0/s1
InChIKeyQHARSHPFGAZDPB-DGAVXFQQSA-N
MW235.37 g/mol
LogP1.60
Rot. Bonds

About (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane

(1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 173466761) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name(1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID173466761
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CCN2N[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
InChIInChI=1S/C14H25N3/c1-3-7-16-10-11-9-12(14(16)6-1)15-17-8-4-2-5-13(11)17/h11-15H,1-10H2/t11-,12+,13+,14-/m0/s1
InChIKeyQHARSHPFGAZDPB-DGAVXFQQSA-N
XLogP1.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane 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
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
CID 169440912
bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper
CID 24805328
(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 163133323
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
(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
(2S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
CID 59492157
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 163184988
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749

Frequently Asked Questions

What is the IUPAC name of (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 173466761) is (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane is C1CCN2N[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.
What is the InChIKey of (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is QHARSHPFGAZDPB-DGAVXFQQSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-7-16-10-11-9-12(14(16)6-1)15-17-8-4-2-5-13(11)17/h11-15H,1-10H2/t11-,12+,13+,14-/m0/s1.
What are the key properties of (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane?
(1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane has a molecular weight of 235.37 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 173466761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).