(1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane

C15H25N — CID 6857503

IUPAC(1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane
SMILESC1C[C@@H]2CC[C@@H]3CCC[C@@]24[C@@H]3CCCN4C1
InChIInChI=1S/C15H25N/c1-4-12-7-8-13-5-2-10-16-11-3-6-14(12)15(13,16)9-1/h12-14H,1-11H2/t12-,13+,14+,15-/m0/s1
InChIKeyWEUSZYFSAZZUMH-YJNKXOJESA-N
MW219.37 g/mol
LogP3.44
Rot. Bonds

About (1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane

(1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane (PubChem CID 6857503) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane.

Molecular Properties

Compound Name(1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane
PubChem CID6857503
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane
SMILESC1C[C@@H]2CC[C@@H]3CCC[C@@]24[C@@H]3CCCN4C1
InChIInChI=1S/C15H25N/c1-4-12-7-8-13-5-2-10-16-11-3-6-14(12)15(13,16)9-1/h12-14H,1-11H2/t12-,13+,14+,15-/m0/s1
InChIKeyWEUSZYFSAZZUMH-YJNKXOJESA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane?
The IUPAC name of (1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane (CID 6857503) is (1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane.
What is the SMILES notation for (1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane?
The canonical SMILES for (1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane is C1C[C@@H]2CC[C@@H]3CCC[C@@]24[C@@H]3CCCN4C1.
What is the InChIKey of (1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane?
The InChIKey is WEUSZYFSAZZUMH-YJNKXOJESA-N. The full InChI is InChI=1S/C15H25N/c1-4-12-7-8-13-5-2-10-16-11-3-6-14(12)15(13,16)9-1/h12-14H,1-11H2/t12-,13+,14+,15-/m0/s1.
What are the key properties of (1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane?
(1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane has a molecular weight of 219.37 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,10S,13S)-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane is sourced from PubChem (CID 6857503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).