N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide

C15H27N5O — CID 13203400

IUPACN-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
SMILESCCN(C(=O)CCCCc1nnnn1C)C1CCCCC1
InChIInChI=1S/C15H27N5O/c1-3-20(13-9-5-4-6-10-13)15(21)12-8-7-11-14-16-17-18-19(14)2/h13H,3-12H2,1-2H3
InChIKeyMQMVVQXYJYPSNU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.10
Rot. Bonds7

About N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide

N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide (PubChem CID 13203400) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
PubChem CID13203400
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
SMILESCCN(C(=O)CCCCc1nnnn1C)C1CCCCC1
InChIInChI=1S/C15H27N5O/c1-3-20(13-9-5-4-6-10-13)15(21)12-8-7-11-14-16-17-18-19(14)2/h13H,3-12H2,1-2H3
InChIKeyMQMVVQXYJYPSNU-UHFFFAOYSA-N
XLogP2.10
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.10
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 N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide (CID 13203400) is N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide is CCN(C(=O)CCCCc1nnnn1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide?
The InChIKey is MQMVVQXYJYPSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-20(13-9-5-4-6-10-13)15(21)12-8-7-11-14-16-17-18-19(14)2/h13H,3-12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide?
N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide has a molecular weight of 293.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide is sourced from PubChem (CID 13203400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).