2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine

C12H25N5O — CID 107053196

IUPAC2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCC(CC)(CNCCOC)Cc1nnn(C)n1
InChIInChI=1S/C12H25N5O/c1-5-12(6-2,10-13-7-8-18-4)9-11-14-16-17(3)15-11/h13H,5-10H2,1-4H3
InChIKeyKKGMOTCDONGPSM-UHFFFAOYSA-N
MW255.37 g/mol
LogP0.80
Rot. Bonds9

About 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine

2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine (PubChem CID 107053196) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
PubChem CID107053196
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC Name2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCC(CC)(CNCCOC)Cc1nnn(C)n1
InChIInChI=1S/C12H25N5O/c1-5-12(6-2,10-13-7-8-18-4)9-11-14-16-17(3)15-11/h13H,5-10H2,1-4H3
InChIKeyKKGMOTCDONGPSM-UHFFFAOYSA-N
XLogP0.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 50.80
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 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine (CID 107053196) is 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine is CCC(CC)(CNCCOC)Cc1nnn(C)n1.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The InChIKey is KKGMOTCDONGPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-5-12(6-2,10-13-7-8-18-4)9-11-14-16-17(3)15-11/h13H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 0.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 107053196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).