3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine

C14H22N2 — CID 19939081

IUPAC3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine
SMILESNCCCN1CC2C3C=CC(C4CC34)C2C1
InChIInChI=1S/C14H22N2/c15-4-1-5-16-7-13-9-2-3-10(14(13)8-16)12-6-11(9)12/h2-3,9-14H,1,4-8,15H2
InChIKeyKQDLCBGNXWZFIH-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.34
Rot. Bonds3

About 3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine

3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine (PubChem CID 19939081) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine
PubChem CID19939081
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine
SMILESNCCCN1CC2C3C=CC(C4CC34)C2C1
InChIInChI=1S/C14H22N2/c15-4-1-5-16-7-13-9-2-3-10(14(13)8-16)12-6-11(9)12/h2-3,9-14H,1,4-8,15H2
InChIKeyKQDLCBGNXWZFIH-UHFFFAOYSA-N
XLogP1.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine?
The IUPAC name of 3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine (CID 19939081) is 3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine.
What is the SMILES notation for 3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine?
The canonical SMILES for 3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine is NCCCN1CC2C3C=CC(C4CC34)C2C1.
What is the InChIKey of 3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine?
The InChIKey is KQDLCBGNXWZFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-4-1-5-16-7-13-9-2-3-10(14(13)8-16)12-6-11(9)12/h2-3,9-14H,1,4-8,15H2.
What are the key properties of 3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine?
3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propan-1-amine is sourced from PubChem (CID 19939081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).