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

C15H23N5 — CID 56809368

IUPACN-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
SMILESCCCCn1nnnc1CN(CC)c1ccccc1C
InChIInChI=1S/C15H23N5/c1-4-6-11-20-15(16-17-18-20)12-19(5-2)14-10-8-7-9-13(14)3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyZRNKCDVRCPAVDF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.81
Rot. Bonds7

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

N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline (PubChem CID 56809368) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
PubChem CID56809368
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
SMILESCCCCn1nnnc1CN(CC)c1ccccc1C
InChIInChI=1S/C15H23N5/c1-4-6-11-20-15(16-17-18-20)12-19(5-2)14-10-8-7-9-13(14)3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyZRNKCDVRCPAVDF-UHFFFAOYSA-N
XLogP2.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline?
The IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline (CID 56809368) is N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline.
What is the SMILES notation for N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline?
The canonical SMILES for N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline is CCCCn1nnnc1CN(CC)c1ccccc1C.
What is the InChIKey of N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline?
The InChIKey is ZRNKCDVRCPAVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-6-11-20-15(16-17-18-20)12-19(5-2)14-10-8-7-9-13(14)3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline?
N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline has a molecular weight of 273.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline is sourced from PubChem (CID 56809368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).