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

C13H25N5O — CID 62761686

IUPAC2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CC1CCCCC1C
InChIInChI=1S/C13H25N5O/c1-11-5-3-4-6-12(11)10-18-13(15-16-17-18)9-14-7-8-19-2/h11-12,14H,3-10H2,1-2H3
InChIKeySXDNZRTYJODEHJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.24
Rot. Bonds7

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

2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 62761686) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID62761686
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CC1CCCCC1C
InChIInChI=1S/C13H25N5O/c1-11-5-3-4-6-12(11)10-18-13(15-16-17-18)9-14-7-8-19-2/h11-12,14H,3-10H2,1-2H3
InChIKeySXDNZRTYJODEHJ-UHFFFAOYSA-N
XLogP1.24
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine (CID 62761686) is 2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine is COCCNCc1nnnn1CC1CCCCC1C.
What is the InChIKey of 2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is SXDNZRTYJODEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-11-5-3-4-6-12(11)10-18-13(15-16-17-18)9-14-7-8-19-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62761686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).