(Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine

C17H34N6 — CID 70854996

IUPAC(Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine
SMILESNCCCC/C=C\CCCCCCc1nnnn1CCCCN
InChIInChI=1S/C17H34N6/c18-14-10-8-6-4-2-1-3-5-7-9-13-17-20-21-22-23(17)16-12-11-15-19/h2,4H,1,3,5-16,18-19H2/b4-2-
InChIKeyKPXVGAFYFWCCJA-RQOWECAXSA-N
MW322.50 g/mol
LogP2.59
Rot. Bonds15

About (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine

(Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine (PubChem CID 70854996) has the molecular formula C17H34N6 and a molecular weight of 322.50 g/mol. Its IUPAC name is (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine.

Molecular Properties

Compound Name(Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine
PubChem CID70854996
Molecular FormulaC17H34N6
Molecular Weight322.50 g/mol
Exact Mass322.28
IUPAC Name(Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine
SMILESNCCCC/C=C\CCCCCCc1nnnn1CCCCN
InChIInChI=1S/C17H34N6/c18-14-10-8-6-4-2-1-3-5-7-9-13-17-20-21-22-23(17)16-12-11-15-19/h2,4H,1,3,5-16,18-19H2/b4-2-
InChIKeyKPXVGAFYFWCCJA-RQOWECAXSA-N
XLogP2.59
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine?
The IUPAC name of (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine (CID 70854996) is (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine.
What is the SMILES notation for (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine?
The canonical SMILES for (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine is NCCCC/C=C\CCCCCCc1nnnn1CCCCN.
What is the InChIKey of (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine?
The InChIKey is KPXVGAFYFWCCJA-RQOWECAXSA-N. The full InChI is InChI=1S/C17H34N6/c18-14-10-8-6-4-2-1-3-5-7-9-13-17-20-21-22-23(17)16-12-11-15-19/h2,4H,1,3,5-16,18-19H2/b4-2-.
What are the key properties of (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine?
(Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine has a molecular weight of 322.50 g/mol, XLogP of 2.59, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine is sourced from PubChem (CID 70854996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).