N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine

C14H27N5O — CID 62761175

IUPACN-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCCC1CCC(Cn2nnnc2CNCCOC)CC1
InChIInChI=1S/C14H27N5O/c1-3-12-4-6-13(7-5-12)11-19-14(16-17-18-19)10-15-8-9-20-2/h12-13,15H,3-11H2,1-2H3
InChIKeyXSOOMJHDSZVCNT-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.63
Rot. Bonds8

About N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine

N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 62761175) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID62761175
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCCC1CCC(Cn2nnnc2CNCCOC)CC1
InChIInChI=1S/C14H27N5O/c1-3-12-4-6-13(7-5-12)11-19-14(16-17-18-19)10-15-8-9-20-2/h12-13,15H,3-11H2,1-2H3
InChIKeyXSOOMJHDSZVCNT-UHFFFAOYSA-N
XLogP1.63
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.63
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-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 62761175) is N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine is CCC1CCC(Cn2nnnc2CNCCOC)CC1.
What is the InChIKey of N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is XSOOMJHDSZVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-3-12-4-6-13(7-5-12)11-19-14(16-17-18-19)10-15-8-9-20-2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 281.40 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62761175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).