2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine

C12H23N5O — CID 62737442

IUPAC2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1C1CCC(C)CC1
InChIInChI=1S/C12H23N5O/c1-10-3-5-11(6-4-10)17-12(14-15-16-17)9-13-7-8-18-2/h10-11,13H,3-9H2,1-2H3
InChIKeyUBCKEFLWJKHZJA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.16
Rot. Bonds6

About 2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine

2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62737442) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62737442
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1C1CCC(C)CC1
InChIInChI=1S/C12H23N5O/c1-10-3-5-11(6-4-10)17-12(14-15-16-17)9-13-7-8-18-2/h10-11,13H,3-9H2,1-2H3
InChIKeyUBCKEFLWJKHZJA-UHFFFAOYSA-N
XLogP1.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737252
N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107853826
2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine
CID 114241326
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63804770
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62577032
N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 63826562
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 86989057
N-[[1-(2-methylcyclopentyl)tetrazol-5-yl]methyl]propan-1-amine
CID 63281708
N-[[1-(1,1-dioxothian-3-yl)tetrazol-5-yl]methyl]propan-1-amine
CID 63918280
2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761526
N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 115408738
2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine
CID 81251382

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine (CID 62737442) is 2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine is COCCNCc1nnnn1C1CCC(C)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is UBCKEFLWJKHZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-10-3-5-11(6-4-10)17-12(14-15-16-17)9-13-7-8-18-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62737442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).