3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine

C9H15N5 — CID 107054965

IUPAC3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
SMILESCn1nnc(CC2=CC(N)CCC2)n1
InChIInChI=1S/C9H15N5/c1-14-12-9(11-13-14)6-7-3-2-4-8(10)5-7/h5,8H,2-4,6,10H2,1H3
InChIKeyLWBVWTZQSLXJFL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.19
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine

3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine (PubChem CID 107054965) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
PubChem CID107054965
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
SMILESCn1nnc(CC2=CC(N)CCC2)n1
InChIInChI=1S/C9H15N5/c1-14-12-9(11-13-14)6-7-3-2-4-8(10)5-7/h5,8H,2-4,6,10H2,1H3
InChIKeyLWBVWTZQSLXJFL-UHFFFAOYSA-N
XLogP0.19
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.19
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 3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine (CID 107054965) is 3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine is Cn1nnc(CC2=CC(N)CCC2)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine?
The InChIKey is LWBVWTZQSLXJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-14-12-9(11-13-14)6-7-3-2-4-8(10)5-7/h5,8H,2-4,6,10H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine?
3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine has a molecular weight of 193.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 107054965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).