4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline

C19H26ClN5 — CID 1034633

IUPAC4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline
SMILESClc1ccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C19H26ClN5/c20-15-9-11-16(12-10-15)21-19(13-5-2-6-14-19)18-22-23-24-25(18)17-7-3-1-4-8-17/h9-12,17,21H,1-8,13-14H2
InChIKeyXCNHNFYVXZBZCP-UHFFFAOYSA-N
MW359.91 g/mol
LogP5.10
Rot. Bonds4

About 4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline

4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline (PubChem CID 1034633) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is 4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline
PubChem CID1034633
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC Name4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline
SMILESClc1ccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C19H26ClN5/c20-15-9-11-16(12-10-15)21-19(13-5-2-6-14-19)18-22-23-24-25(18)17-7-3-1-4-8-17/h9-12,17,21H,1-8,13-14H2
InChIKeyXCNHNFYVXZBZCP-UHFFFAOYSA-N
XLogP5.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.91
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline?
The IUPAC name of 4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline (CID 1034633) is 4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline.
What is the SMILES notation for 4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline?
The canonical SMILES for 4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline is Clc1ccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline?
The InChIKey is XCNHNFYVXZBZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5/c20-15-9-11-16(12-10-15)21-19(13-5-2-6-14-19)18-22-23-24-25(18)17-7-3-1-4-8-17/h9-12,17,21H,1-8,13-14H2.
What are the key properties of 4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline?
4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline has a molecular weight of 359.91 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline is sourced from PubChem (CID 1034633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).