2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine

C12H22N4O — CID 63828555

IUPAC2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nnc(CNCCOC2CCCC2)n1C
InChIInChI=1S/C12H22N4O/c1-10-14-15-12(16(10)2)9-13-7-8-17-11-5-3-4-6-11/h11,13H,3-9H2,1-2H3
InChIKeyMYNPFPJQMPBFIQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.17
Rot. Bonds6

About 2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine

2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 63828555) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID63828555
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nnc(CNCCOC2CCCC2)n1C
InChIInChI=1S/C12H22N4O/c1-10-14-15-12(16(10)2)9-13-7-8-17-11-5-3-4-6-11/h11,13H,3-9H2,1-2H3
InChIKeyMYNPFPJQMPBFIQ-UHFFFAOYSA-N
XLogP1.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 43524641
2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 55220028
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243673
1-(2-cycloheptyloxyethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3-ethoxypropyl)guanidine
CID 111576213
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 113463774
N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 63826562
1-(2-cycloheptyloxyethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111576338
4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63877557
2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001881
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600095
N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methoxyethanamine
CID 79272218
1-(3-cyclohexyloxypropyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3-ethoxypropyl)guanidine;hydroiodide
CID 111397413

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 63828555) is 2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine is Cc1nnc(CNCCOC2CCCC2)n1C.
What is the InChIKey of 2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is MYNPFPJQMPBFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-14-15-12(16(10)2)9-13-7-8-17-11-5-3-4-6-11/h11,13H,3-9H2,1-2H3.
What are the key properties of 2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 63828555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).