N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline

C15H21N5 — CID 132970638

IUPACN-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline
SMILESC=CCN(Cc1nnn(C(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C15H21N5/c1-5-11-19(13-9-7-6-8-10-13)12-14-16-18-20(17-14)15(2,3)4/h5-10H,1,11-12H2,2-4H3
InChIKeyNFPBIBIUOWHZPG-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.62
Rot. Bonds5

About N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline

N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline (PubChem CID 132970638) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline
PubChem CID132970638
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline
SMILESC=CCN(Cc1nnn(C(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C15H21N5/c1-5-11-19(13-9-7-6-8-10-13)12-14-16-18-20(17-14)15(2,3)4/h5-10H,1,11-12H2,2-4H3
InChIKeyNFPBIBIUOWHZPG-UHFFFAOYSA-N
XLogP2.62
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline?
The IUPAC name of N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline (CID 132970638) is N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline.
What is the SMILES notation for N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline?
The canonical SMILES for N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline is C=CCN(Cc1nnn(C(C)(C)C)n1)c1ccccc1.
What is the InChIKey of N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline?
The InChIKey is NFPBIBIUOWHZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-5-11-19(13-9-7-6-8-10-13)12-14-16-18-20(17-14)15(2,3)4/h5-10H,1,11-12H2,2-4H3.
What are the key properties of N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline?
N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline has a molecular weight of 271.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline is sourced from PubChem (CID 132970638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).