1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine

C12H21N5 — CID 167812406

IUPAC1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCn1nnc(CNCC2CC/C=C\CCC2)n1
InChIInChI=1S/C12H21N5/c1-17-15-12(14-16-17)10-13-9-11-7-5-3-2-4-6-8-11/h2-3,11,13H,4-10H2,1H3/b3-2-
InChIKeySPIIFXADPJZQJC-IHWYPQMZSA-N
MW235.33 g/mol
LogP1.44
Rot. Bonds4

About 1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine

1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine (PubChem CID 167812406) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
PubChem CID167812406
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCn1nnc(CNCC2CC/C=C\CCC2)n1
InChIInChI=1S/C12H21N5/c1-17-15-12(14-16-17)10-13-9-11-7-5-3-2-4-6-8-11/h2-3,11,13H,4-10H2,1H3/b3-2-
InChIKeySPIIFXADPJZQJC-IHWYPQMZSA-N
XLogP1.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine (CID 167812406) is 1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine is Cn1nnc(CNCC2CC/C=C\CCC2)n1.
What is the InChIKey of 1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The InChIKey is SPIIFXADPJZQJC-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H21N5/c1-17-15-12(14-16-17)10-13-9-11-7-5-3-2-4-6-8-11/h2-3,11,13H,4-10H2,1H3/b3-2-.
What are the key properties of 1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 167812406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).