(2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine

C12H19NS — CID 130488688

IUPAC(2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine
SMILESCCC1(c2cccs2)C(CN)C1(C)C
InChIInChI=1S/C12H19NS/c1-4-12(10-6-5-7-14-10)9(8-13)11(12,2)3/h5-7,9H,4,8,13H2,1-3H3
InChIKeyIKDRQJHOVZIPBO-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.01
Rot. Bonds3

About (2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine

(2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine (PubChem CID 130488688) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine
PubChem CID130488688
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine
SMILESCCC1(c2cccs2)C(CN)C1(C)C
InChIInChI=1S/C12H19NS/c1-4-12(10-6-5-7-14-10)9(8-13)11(12,2)3/h5-7,9H,4,8,13H2,1-3H3
InChIKeyIKDRQJHOVZIPBO-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine
CID 65000256
2-methyl-2-thiophen-2-yl-1,3-dioxole
CID 141238164
2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene
CID 130489133
2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene
CID 174611653
2-ethyl-2-thiophen-2-ylpiperidine
CID 117271329
2-propyl-1-thiophen-2-ylcyclopropan-1-ol
CID 79332590
N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708007
3,3-dimethyl-1-thiophen-2-ylcyclobutane-1-carbonitrile
CID 64999992
(3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one
CID 129451305
sodium 2-ethyl-3-methyl-3-thiophen-2-yloxirane-2-carboxylate
CID 25104020
N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]-2-methylpropan-2-amine
CID 62712088
2-methyl-2-thiophen-2-yl-1,4-dioxane
CID 140537757

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine?
The IUPAC name of (2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine (CID 130488688) is (2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine.
What is the SMILES notation for (2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine?
The canonical SMILES for (2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine is CCC1(c2cccs2)C(CN)C1(C)C.
What is the InChIKey of (2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine?
The InChIKey is IKDRQJHOVZIPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-12(10-6-5-7-14-10)9(8-13)11(12,2)3/h5-7,9H,4,8,13H2,1-3H3.
What are the key properties of (2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine?
(2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine has a molecular weight of 209.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine is sourced from PubChem (CID 130488688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).