N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine

C13H21N5S — CID 62762055

IUPACN-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1C(c1cccs1)C(C)C
InChIInChI=1S/C13H21N5S/c1-9(2)13(11-6-5-7-19-11)18-12(15-16-17-18)8-14-10(3)4/h5-7,9-10,13-14H,8H2,1-4H3
InChIKeyGAJGBIASXFSLDC-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.48
Rot. Bonds6

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

N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62762055) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62762055
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1C(c1cccs1)C(C)C
InChIInChI=1S/C13H21N5S/c1-9(2)13(11-6-5-7-19-11)18-12(15-16-17-18)8-14-10(3)4/h5-7,9-10,13-14H,8H2,1-4H3
InChIKeyGAJGBIASXFSLDC-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine
CID 103085799
N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62736519
N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 63292400
2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085714
N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 107603620
(1S)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81409230
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107042287
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 115709775
(1R)-1-(4-phenyl-1,3-thiazol-2-yl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]ethanamine
CID 97353554
N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 107042155
(1S)-N'-[(1-benzyltetrazol-5-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 94177727
N-[[1-(3-bromo-2-methylphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 107639406

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine (CID 62762055) is N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1C(c1cccs1)C(C)C.
What is the InChIKey of N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is GAJGBIASXFSLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-9(2)13(11-6-5-7-19-11)18-12(15-16-17-18)8-14-10(3)4/h5-7,9-10,13-14H,8H2,1-4H3.
What are the key properties of N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 279.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62762055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).