N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine

C20H26N6 — CID 648463

IUPACN-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine
SMILESCCN(Cc1ccccc1)C(c1ccncc1)c1nnnn1C(C)(C)C
InChIInChI=1S/C20H26N6/c1-5-25(15-16-9-7-6-8-10-16)18(17-11-13-21-14-12-17)19-22-23-24-26(19)20(2,3)4/h6-14,18H,5,15H2,1-4H3
InChIKeyRDVNOWAVQCYSRI-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.43
Rot. Bonds6

About N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine

N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine (PubChem CID 648463) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine
PubChem CID648463
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC NameN-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine
SMILESCCN(Cc1ccccc1)C(c1ccncc1)c1nnnn1C(C)(C)C
InChIInChI=1S/C20H26N6/c1-5-25(15-16-9-7-6-8-10-16)18(17-11-13-21-14-12-17)19-22-23-24-26(19)20(2,3)4/h6-14,18H,5,15H2,1-4H3
InChIKeyRDVNOWAVQCYSRI-UHFFFAOYSA-N
XLogP3.43
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
Benzyl-[(1-tert-butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-pyridin-3-ylmethyl-amine
CID 644605
1-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyridin-3-yl-methyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 3229211
3-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(trifluoromethyl)pyridine
CID 2727089
4-[[1-(2-Phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
1-[(1-Benzyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-cyclohexyl-piperazine
CID 652753
2-[4-(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 10359487
2-[4-[5-Methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10383074
2-[4-(5-Methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 11278622
2-[4-[5-Methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11461755
2-[4-[5-Methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11473073
3-({5-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-tetraazol-1-yl}methyl)pyridine
CID 11616778

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine?
The IUPAC name of N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine (CID 648463) is N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine is CCN(Cc1ccccc1)C(c1ccncc1)c1nnnn1C(C)(C)C.
What is the InChIKey of N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine?
The InChIKey is RDVNOWAVQCYSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-5-25(15-16-9-7-6-8-10-16)18(17-11-13-21-14-12-17)19-22-23-24-26(19)20(2,3)4/h6-14,18H,5,15H2,1-4H3.
What are the key properties of N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine?
N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine has a molecular weight of 350.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-tert-butyltetrazol-5-yl)-pyridin-4-ylmethyl]ethanamine is sourced from PubChem (CID 648463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).