N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine

C15H19N5 — CID 2547390

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine
SMILESC1=C(CCNc2nnnn2-c2ccccc2)CCCC1
InChIInChI=1S/C15H19N5/c1-3-7-13(8-4-1)11-12-16-15-17-18-19-20(15)14-9-5-2-6-10-14/h2,5-7,9-10H,1,3-4,8,11-12H2,(H,16,17,19)
InChIKeySREKFVYWFHWCJD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine

N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine (PubChem CID 2547390) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine
PubChem CID2547390
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine
SMILESC1=C(CCNc2nnnn2-c2ccccc2)CCCC1
InChIInChI=1S/C15H19N5/c1-3-7-13(8-4-1)11-12-16-15-17-18-19-20(15)14-9-5-2-6-10-14/h2,5-7,9-10H,1,3-4,8,11-12H2,(H,16,17,19)
InChIKeySREKFVYWFHWCJD-UHFFFAOYSA-N
XLogP2.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.96
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 N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine (CID 2547390) is N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine is C1=C(CCNc2nnnn2-c2ccccc2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine?
The InChIKey is SREKFVYWFHWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-7-13(8-4-1)11-12-16-15-17-18-19-20(15)14-9-5-2-6-10-14/h2,5-7,9-10H,1,3-4,8,11-12H2,(H,16,17,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine?
N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine has a molecular weight of 269.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 2547390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).