N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline

C19H21N5 — CID 30312066

IUPACN-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
SMILESc1ccc(NC2(c3nnnn3-c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C19H21N5/c1-4-10-16(11-5-1)20-19(14-8-3-9-15-19)18-21-22-23-24(18)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2
InChIKeyIEVMLYCLSWERLJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline

N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline (PubChem CID 30312066) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline.

Molecular Properties

Compound NameN-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
PubChem CID30312066
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
SMILESc1ccc(NC2(c3nnnn3-c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C19H21N5/c1-4-10-16(11-5-1)20-19(14-8-3-9-15-19)18-21-22-23-24(18)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2
InChIKeyIEVMLYCLSWERLJ-UHFFFAOYSA-N
XLogP3.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
The IUPAC name of N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline (CID 30312066) is N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline.
What is the SMILES notation for N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
The canonical SMILES for N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline is c1ccc(NC2(c3nnnn3-c3ccccc3)CCCCC2)cc1.
What is the InChIKey of N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
The InChIKey is IEVMLYCLSWERLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-4-10-16(11-5-1)20-19(14-8-3-9-15-19)18-21-22-23-24(18)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2.
What are the key properties of N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline has a molecular weight of 319.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline is sourced from PubChem (CID 30312066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).