1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine

C11H19N5 — CID 107050930

IUPAC1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCn1nnc(CC(N)CC2=CCCCC2)n1
InChIInChI=1S/C11H19N5/c1-16-14-11(13-15-16)8-10(12)7-9-5-3-2-4-6-9/h5,10H,2-4,6-8,12H2,1H3
InChIKeyNWTXHRHVEYGTSD-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.97
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107050930) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107050930
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCn1nnc(CC(N)CC2=CCCCC2)n1
InChIInChI=1S/C11H19N5/c1-16-14-11(13-15-16)8-10(12)7-9-5-3-2-4-6-9/h5,10H,2-4,6-8,12H2,1H3
InChIKeyNWTXHRHVEYGTSD-UHFFFAOYSA-N
XLogP0.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-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 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107050930) is 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine is Cn1nnc(CC(N)CC2=CCCCC2)n1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is NWTXHRHVEYGTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-16-14-11(13-15-16)8-10(12)7-9-5-3-2-4-6-9/h5,10H,2-4,6-8,12H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107050930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).