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

C9H19N5O — CID 60683258

IUPACN-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine
SMILESCCCCn1nnnc1CNCCOC
InChIInChI=1S/C9H19N5O/c1-3-4-6-14-9(11-12-13-14)8-10-5-7-15-2/h10H,3-8H2,1-2H3
InChIKeyJJYKYOOZFAMEGR-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.21
Rot. Bonds8

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

N-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine (PubChem CID 60683258) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine
PubChem CID60683258
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC NameN-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine
SMILESCCCCn1nnnc1CNCCOC
InChIInChI=1S/C9H19N5O/c1-3-4-6-14-9(11-12-13-14)8-10-5-7-15-2/h10H,3-8H2,1-2H3
InChIKeyJJYKYOOZFAMEGR-UHFFFAOYSA-N
XLogP0.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.21
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-butyltetrazol-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine (CID 60683258) is N-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine is CCCCn1nnnc1CNCCOC.
What is the InChIKey of N-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is JJYKYOOZFAMEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-3-4-6-14-9(11-12-13-14)8-10-5-7-15-2/h10H,3-8H2,1-2H3.
What are the key properties of N-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine?
N-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 213.28 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyltetrazol-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 60683258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).