2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine

C23H33N5S — CID 3193719

IUPAC2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C23H33N5S/c1-6-23(4,5)28-22(24-25-26-28)21(18(2)3)27(17-20-13-10-16-29-20)15-14-19-11-8-7-9-12-19/h7-13,16,18,21H,6,14-15,17H2,1-5H3
InChIKeyANLWGUIYOJJBRT-UHFFFAOYSA-N
MW411.62 g/mol
LogP5.32
Rot. Bonds10

About 2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine

2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 3193719) has the molecular formula C23H33N5S and a molecular weight of 411.62 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID3193719
Molecular FormulaC23H33N5S
Molecular Weight411.62 g/mol
Exact Mass411.25
IUPAC Name2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C23H33N5S/c1-6-23(4,5)28-22(24-25-26-28)21(18(2)3)27(17-20-13-10-16-29-20)15-14-19-11-8-7-9-12-19/h7-13,16,18,21H,6,14-15,17H2,1-5H3
InChIKeyANLWGUIYOJJBRT-UHFFFAOYSA-N
XLogP5.32
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3203294
8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3204335
6,7-dimethyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3203214
6,7-dimethyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1436554
N-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 3229340
3-[[benzyl(thiophen-2-ylmethyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 3187165
3-[(R)-[benzyl(thiophen-2-ylmethyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 28606392
(1R)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 1438756
(1S)-1-(1-tert-butyltetrazol-5-yl)-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 1459721
(1R)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propan-1-amine
CID 1439019
3-[(R)-[benzyl(thiophen-2-ylmethyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 28503367
N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 3193721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 3193719) is 2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine is CCC(C)(C)n1nnnc1C(C(C)C)N(CCc1ccccc1)Cc1cccs1.
What is the InChIKey of 2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is ANLWGUIYOJJBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5S/c1-6-23(4,5)28-22(24-25-26-28)21(18(2)3)27(17-20-13-10-16-29-20)15-14-19-11-8-7-9-12-19/h7-13,16,18,21H,6,14-15,17H2,1-5H3.
What are the key properties of 2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 411.62 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 3193719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).