1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine

C9H17N5O — CID 107050936

IUPAC1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCOC1(C(N)Cc2nnn(C)n2)CCC1
InChIInChI=1S/C9H17N5O/c1-14-12-8(11-13-14)6-7(10)9(15-2)4-3-5-9/h7H,3-6,10H2,1-2H3
InChIKeyDEALQLVSAUSJGU-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.35
Rot. Bonds4

About 1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine

1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107050936) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107050936
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCOC1(C(N)Cc2nnn(C)n2)CCC1
InChIInChI=1S/C9H17N5O/c1-14-12-8(11-13-14)6-7(10)9(15-2)4-3-5-9/h7H,3-6,10H2,1-2H3
InChIKeyDEALQLVSAUSJGU-UHFFFAOYSA-N
XLogP-0.35
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107050936) is 1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine is COC1(C(N)Cc2nnn(C)n2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is DEALQLVSAUSJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-12-8(11-13-14)6-7(10)9(15-2)4-3-5-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine?
1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 211.27 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107050936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).