N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide

C15H25N5O — CID 830664

IUPACN-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1(c2nnnn2C2CCCCC2)CCCCC1
InChIInChI=1S/C15H25N5O/c1-12(21)16-15(10-6-3-7-11-15)14-17-18-19-20(14)13-8-4-2-5-9-13/h13H,2-11H2,1H3,(H,16,21)
InChIKeyMIBOCHTZNQZLFB-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.47
Rot. Bonds3

About N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide

N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide (PubChem CID 830664) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide
PubChem CID830664
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1(c2nnnn2C2CCCCC2)CCCCC1
InChIInChI=1S/C15H25N5O/c1-12(21)16-15(10-6-3-7-11-15)14-17-18-19-20(14)13-8-4-2-5-9-13/h13H,2-11H2,1H3,(H,16,21)
InChIKeyMIBOCHTZNQZLFB-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide?
The IUPAC name of N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide (CID 830664) is N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide?
The canonical SMILES for N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide is CC(=O)NC1(c2nnnn2C2CCCCC2)CCCCC1.
What is the InChIKey of N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide?
The InChIKey is MIBOCHTZNQZLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12(21)16-15(10-6-3-7-11-15)14-17-18-19-20(14)13-8-4-2-5-9-13/h13H,2-11H2,1H3,(H,16,21).
What are the key properties of N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide?
N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]acetamide is sourced from PubChem (CID 830664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).