(2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride

C14H18ClN — CID 138399915

IUPAC(2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride
SMILESCl.c1ccc2c(c1)C[C@@H]1C3CCC(C[C@H]21)N3
InChIInChI=1S/C14H17N.ClH/c1-2-4-11-9(3-1)7-13-12(11)8-10-5-6-14(13)15-10;/h1-4,10,12-15H,5-8H2;1H/t10?,12-,13+,14?;/m1./s1
InChIKeyHOMPDPKUQHXIBU-FGJUJJAKSA-N
MW235.76 g/mol
LogP2.89
Rot. Bonds

About (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride

(2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride (PubChem CID 138399915) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride.

Molecular Properties

Compound Name(2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride
PubChem CID138399915
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name(2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride
SMILESCl.c1ccc2c(c1)C[C@@H]1C3CCC(C[C@H]21)N3
InChIInChI=1S/C14H17N.ClH/c1-2-4-11-9(3-1)7-13-12(11)8-10-5-6-14(13)15-10;/h1-4,10,12-15H,5-8H2;1H/t10?,12-,13+,14?;/m1./s1
InChIKeyHOMPDPKUQHXIBU-FGJUJJAKSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride?
The IUPAC name of (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride (CID 138399915) is (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride.
What is the SMILES notation for (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride?
The canonical SMILES for (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride is Cl.c1ccc2c(c1)C[C@@H]1C3CCC(C[C@H]21)N3.
What is the InChIKey of (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride?
The InChIKey is HOMPDPKUQHXIBU-FGJUJJAKSA-N. The full InChI is InChI=1S/C14H17N.ClH/c1-2-4-11-9(3-1)7-13-12(11)8-10-5-6-14(13)15-10;/h1-4,10,12-15H,5-8H2;1H/t10?,12-,13+,14?;/m1./s1.
What are the key properties of (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride?
(2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride is sourced from PubChem (CID 138399915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).