N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine

C21H28N6 — CID 651242

IUPACN-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine
SMILESCCN(Cc1ccccc1)C(c1ccccn1)c1nnnn1C(C)(C)CC
InChIInChI=1S/C21H28N6/c1-5-21(3,4)27-20(23-24-25-27)19(18-14-10-11-15-22-18)26(6-2)16-17-12-8-7-9-13-17/h7-15,19H,5-6,16H2,1-4H3
InChIKeyNJNJUICIRCEDCM-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.82
Rot. Bonds8

About N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine

N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine (PubChem CID 651242) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine
PubChem CID651242
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine
SMILESCCN(Cc1ccccc1)C(c1ccccn1)c1nnnn1C(C)(C)CC
InChIInChI=1S/C21H28N6/c1-5-21(3,4)27-20(23-24-25-27)19(18-14-10-11-15-22-18)26(6-2)16-17-12-8-7-9-13-17/h7-15,19H,5-6,16H2,1-4H3
InChIKeyNJNJUICIRCEDCM-UHFFFAOYSA-N
XLogP3.82
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine?
The IUPAC name of N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine (CID 651242) is N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine?
The canonical SMILES for N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine is CCN(Cc1ccccc1)C(c1ccccn1)c1nnnn1C(C)(C)CC.
What is the InChIKey of N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine?
The InChIKey is NJNJUICIRCEDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-5-21(3,4)27-20(23-24-25-27)19(18-14-10-11-15-22-18)26(6-2)16-17-12-8-7-9-13-17/h7-15,19H,5-6,16H2,1-4H3.
What are the key properties of N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine?
N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine has a molecular weight of 364.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]ethanamine is sourced from PubChem (CID 651242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).