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

C11H21N5O — CID 114102054

IUPACN-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCCC1(Cn2nnnc2CNCCOC)CC1
InChIInChI=1S/C11H21N5O/c1-3-11(4-5-11)9-16-10(13-14-15-16)8-12-6-7-17-2/h12H,3-9H2,1-2H3
InChIKeyJJDPSVYRAZJKOY-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.60
Rot. Bonds8

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

N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 114102054) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID114102054
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCCC1(Cn2nnnc2CNCCOC)CC1
InChIInChI=1S/C11H21N5O/c1-3-11(4-5-11)9-16-10(13-14-15-16)8-12-6-7-17-2/h12H,3-9H2,1-2H3
InChIKeyJJDPSVYRAZJKOY-UHFFFAOYSA-N
XLogP0.60
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.60
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

N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 115408738
N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
CID 114125134
N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 63826562
2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 79756983
2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737442
2-methoxy-N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737252
2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 107853847
N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107853826
2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66204818
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106961108
N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 55109241
N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
CID 113382999

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 114102054) is N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine is CCC1(Cn2nnnc2CNCCOC)CC1.
What is the InChIKey of N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is JJDPSVYRAZJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-11(4-5-11)9-16-10(13-14-15-16)8-12-6-7-17-2/h12H,3-9H2,1-2H3.
What are the key properties of N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 239.32 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114102054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).