5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide

C16H29N5O — CID 13203398

IUPAC5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide
SMILESCCN(CC)C(=O)CCCCc1nnnn1C1CCCCC1
InChIInChI=1S/C16H29N5O/c1-3-20(4-2)16(22)13-9-8-12-15-17-18-19-21(15)14-10-6-5-7-11-14/h14H,3-13H2,1-2H3
InChIKeyGIWRYTKUGDXNCB-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.76
Rot. Bonds8

About 5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide

5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide (PubChem CID 13203398) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide.

Molecular Properties

Compound Name5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide
PubChem CID13203398
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide
SMILESCCN(CC)C(=O)CCCCc1nnnn1C1CCCCC1
InChIInChI=1S/C16H29N5O/c1-3-20(4-2)16(22)13-9-8-12-15-17-18-19-21(15)14-10-6-5-7-11-14/h14H,3-13H2,1-2H3
InChIKeyGIWRYTKUGDXNCB-UHFFFAOYSA-N
XLogP2.76
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide?
The IUPAC name of 5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide (CID 13203398) is 5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide.
What is the SMILES notation for 5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide?
The canonical SMILES for 5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide is CCN(CC)C(=O)CCCCc1nnnn1C1CCCCC1.
What is the InChIKey of 5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide?
The InChIKey is GIWRYTKUGDXNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-3-20(4-2)16(22)13-9-8-12-15-17-18-19-21(15)14-10-6-5-7-11-14/h14H,3-13H2,1-2H3.
What are the key properties of 5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide?
5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide has a molecular weight of 307.44 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide is sourced from PubChem (CID 13203398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).