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

C16H29N5O — CID 21295396

IUPACN-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
SMILESCCN(CC1CCCCC1)C(=O)CCCCc1nnnn1C
InChIInChI=1S/C16H29N5O/c1-3-21(13-14-9-5-4-6-10-14)16(22)12-8-7-11-15-17-18-19-20(15)2/h14H,3-13H2,1-2H3
InChIKeyXEHBXPUDKMCXQD-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.35
Rot. Bonds8

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

N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide (PubChem CID 21295396) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
PubChem CID21295396
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
SMILESCCN(CC1CCCCC1)C(=O)CCCCc1nnnn1C
InChIInChI=1S/C16H29N5O/c1-3-21(13-14-9-5-4-6-10-14)16(22)12-8-7-11-15-17-18-19-20(15)2/h14H,3-13H2,1-2H3
InChIKeyXEHBXPUDKMCXQD-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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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Related Compounds

1H-Tetrazole-5-pentanamide, 1-cyclohexyl-N,N-diethyl-
CID 3062259
2-Cyclopentyl-1-[3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidin-1-YL]ethan-1-one
CID 110196517
Cyclopentyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196510
5-(1-Butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one
CID 53300808
Cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196508
3-Cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110196515
4,4-difluoro-N-methyl-N-[2-[methyl-[1-(1-methyltetrazol-5-yl)ethyl]amino]ethyl]cyclohexane-1-carboxamide
CID 166364556
N,N-diethyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)valeramide
CID 13142190
5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide
CID 13203398
N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
CID 13203400
5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide
CID 13203414
N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide
CID 21295276

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide?
The IUPAC name of N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide (CID 21295396) is N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide is CCN(CC1CCCCC1)C(=O)CCCCc1nnnn1C.
What is the InChIKey of N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide?
The InChIKey is XEHBXPUDKMCXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-3-21(13-14-9-5-4-6-10-14)16(22)12-8-7-11-15-17-18-19-20(15)2/h14H,3-13H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide?
N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide has a molecular weight of 307.44 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide is sourced from PubChem (CID 21295396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).