N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide

C21H38N6O — CID 21295498

IUPACN-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide
SMILESCN(C)C1CCC(n2nnnc2CCCCC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C21H38N6O/c1-25(2)17-13-15-19(16-14-17)27-20(22-23-24-27)11-7-8-12-21(28)26(3)18-9-5-4-6-10-18/h17-19H,4-16H2,1-3H3
InChIKeyYGXVGGNBPHOHHZ-UHFFFAOYSA-N
MW390.58 g/mol
LogP3.22
Rot. Bonds8

About N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide

N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide (PubChem CID 21295498) has the molecular formula C21H38N6O and a molecular weight of 390.58 g/mol. Its IUPAC name is N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide
PubChem CID21295498
Molecular FormulaC21H38N6O
Molecular Weight390.58 g/mol
Exact Mass390.31
IUPAC NameN-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide
SMILESCN(C)C1CCC(n2nnnc2CCCCC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C21H38N6O/c1-25(2)17-13-15-19(16-14-17)27-20(22-23-24-27)11-7-8-12-21(28)26(3)18-9-5-4-6-10-18/h17-19H,4-16H2,1-3H3
InChIKeyYGXVGGNBPHOHHZ-UHFFFAOYSA-N
XLogP3.22
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide?
The IUPAC name of N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide (CID 21295498) is N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide.
What is the SMILES notation for N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide?
The canonical SMILES for N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide is CN(C)C1CCC(n2nnnc2CCCCC(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide?
The InChIKey is YGXVGGNBPHOHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6O/c1-25(2)17-13-15-19(16-14-17)27-20(22-23-24-27)11-7-8-12-21(28)26(3)18-9-5-4-6-10-18/h17-19H,4-16H2,1-3H3.
What are the key properties of N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide?
N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide has a molecular weight of 390.58 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide is sourced from PubChem (CID 21295498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).