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

C14H29N5O — CID 107053183

IUPAC2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNCCOC)Cc1nnn(C)n1
InChIInChI=1S/C14H29N5O/c1-5-7-8-14(6-2,12-15-9-10-20-4)11-13-16-18-19(3)17-13/h15H,5-12H2,1-4H3
InChIKeyNCPNAUQWOHZBBN-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.58
Rot. Bonds11

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

2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine (PubChem CID 107053183) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine
PubChem CID107053183
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC Name2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNCCOC)Cc1nnn(C)n1
InChIInChI=1S/C14H29N5O/c1-5-7-8-14(6-2,12-15-9-10-20-4)11-13-16-18-19(3)17-13/h15H,5-12H2,1-4H3
InChIKeyNCPNAUQWOHZBBN-UHFFFAOYSA-N
XLogP1.58
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.58
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]hexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine (CID 107053183) is 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine is CCCCC(CC)(CNCCOC)Cc1nnn(C)n1.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine?
The InChIKey is NCPNAUQWOHZBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-5-7-8-14(6-2,12-15-9-10-20-4)11-13-16-18-19(3)17-13/h15H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine?
2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 1.58, 11 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]hexan-1-amine is sourced from PubChem (CID 107053183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).