2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C11H17N5S — CID 107042287

IUPAC2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1nnn(C)n1)c1cccs1
InChIInChI=1S/C11H17N5S/c1-8(2)11(9-5-4-6-17-9)12-7-10-13-15-16(3)14-10/h4-6,8,11-12H,7H2,1-3H3
InChIKeyDWBWKYDUVROMRJ-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.76
Rot. Bonds5

About 2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine

2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 107042287) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID107042287
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1nnn(C)n1)c1cccs1
InChIInChI=1S/C11H17N5S/c1-8(2)11(9-5-4-6-17-9)12-7-10-13-15-16(3)14-10/h4-6,8,11-12H,7H2,1-3H3
InChIKeyDWBWKYDUVROMRJ-UHFFFAOYSA-N
XLogP1.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 107042155
2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 61284440
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 79002812
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 62749583
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754
(1R)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 107042590
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
CID 43768332
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 107042287) is 2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCc1nnn(C)n1)c1cccs1.
What is the InChIKey of 2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is DWBWKYDUVROMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-8(2)11(9-5-4-6-17-9)12-7-10-13-15-16(3)14-10/h4-6,8,11-12H,7H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 107042287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).