N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine

C13H25N5O — CID 62736339

IUPACN-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1C(C)C1CCCCC1
InChIInChI=1S/C13H25N5O/c1-11(12-6-4-3-5-7-12)18-13(15-16-17-18)10-14-8-9-19-2/h11-12,14H,3-10H2,1-2H3
InChIKeyQVTIZTPJFZWYHS-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.55
Rot. Bonds7

About N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine

N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 62736339) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID62736339
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1C(C)C1CCCCC1
InChIInChI=1S/C13H25N5O/c1-11(12-6-4-3-5-7-12)18-13(15-16-17-18)10-14-8-9-19-2/h11-12,14H,3-10H2,1-2H3
InChIKeyQVTIZTPJFZWYHS-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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 N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 62736339) is N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nnnn1C(C)C1CCCCC1.
What is the InChIKey of N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is QVTIZTPJFZWYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-11(12-6-4-3-5-7-12)18-13(15-16-17-18)10-14-8-9-19-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 267.38 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62736339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).