2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine

C12H19NS — CID 83153908

IUPAC2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCNC(c1sccc1C)C(C)C1CC1
InChIInChI=1S/C12H19NS/c1-8-6-7-14-12(8)11(13-3)9(2)10-4-5-10/h6-7,9-11,13H,4-5H2,1-3H3
InChIKeyKAGIBNBBFICEOI-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.36
Rot. Bonds4

About 2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine

2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 83153908) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID83153908
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCNC(c1sccc1C)C(C)C1CC1
InChIInChI=1S/C12H19NS/c1-8-6-7-14-12(8)11(13-3)9(2)10-4-5-10/h6-7,9-11,13H,4-5H2,1-3H3
InChIKeyKAGIBNBBFICEOI-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153909
1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83153918
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154901
2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 116772255
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopentanamine
CID 63992992
N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine
CID 70397425
N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine
CID 116949667
N-methyl-1-(3-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 82984360
N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
CID 116960907
N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63993444
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133
1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484975

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine (CID 83153908) is 2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine is CNC(c1sccc1C)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is KAGIBNBBFICEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-8-6-7-14-12(8)11(13-3)9(2)10-4-5-10/h6-7,9-11,13H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine?
2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 83153908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).