(1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine

C13H19N5S — CID 94173205

IUPAC(1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc([C@H](C)N(C)Cc2nnnn2C2CC2)s1
InChIInChI=1S/C13H19N5S/c1-9-4-7-12(19-9)10(2)17(3)8-13-14-15-16-18(13)11-5-6-11/h4,7,10-11H,5-6,8H2,1-3H3/t10-/m0/s1
InChIKeyKKOFRUWSAUKEKF-JTQLQIEISA-N
MW277.40 g/mol
LogP2.57
Rot. Bonds5

About (1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine

(1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 94173205) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is (1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID94173205
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name(1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc([C@H](C)N(C)Cc2nnnn2C2CC2)s1
InChIInChI=1S/C13H19N5S/c1-9-4-7-12(19-9)10(2)17(3)8-13-14-15-16-18(13)11-5-6-11/h4,7,10-11H,5-6,8H2,1-3H3/t10-/m0/s1
InChIKeyKKOFRUWSAUKEKF-JTQLQIEISA-N
XLogP2.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 86989057
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 86922257
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
CID 66187611
3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489168
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
CID 86827304
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
CID 86922330
1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol
CID 110919036
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 86931382
N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide
CID 86922267
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86826034
1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425430
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 86922272

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine (CID 94173205) is (1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc([C@H](C)N(C)Cc2nnnn2C2CC2)s1.
What is the InChIKey of (1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is KKOFRUWSAUKEKF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5S/c1-9-4-7-12(19-9)10(2)17(3)8-13-14-15-16-18(13)11-5-6-11/h4,7,10-11H,5-6,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine?
(1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 277.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 94173205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).