2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine

C12H19NS — CID 103700179

IUPAC2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)(C)C2CC2)s1
InChIInChI=1S/C12H19NS/c1-9-4-7-11(14-9)8-13-12(2,3)10-5-6-10/h4,7,10,13H,5-6,8H2,1-3H3
InChIKeyOFZSLYOWMBARKL-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.33
Rot. Bonds4

About 2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine

2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 103700179) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
PubChem CID103700179
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)(C)C2CC2)s1
InChIInChI=1S/C12H19NS/c1-9-4-7-11(14-9)8-13-12(2,3)10-5-6-10/h4,7,10,13H,5-6,8H2,1-3H3
InChIKeyOFZSLYOWMBARKL-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine
CID 115621660
2-(hydroxymethyl)-2-[(5-methylthiophen-2-yl)methylamino]propane-1,3-diol
CID 914020
2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine
CID 103700096
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
3-methyl-3-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 115866636
2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 103700143
2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine
CID 62056560
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
3,3-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 112555984
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine (CID 103700179) is 2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine is Cc1ccc(CNC(C)(C)C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is OFZSLYOWMBARKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-4-7-11(14-9)8-13-12(2,3)10-5-6-10/h4,7,10,13H,5-6,8H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 103700179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).