2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine

C11H17NS — CID 164646247

IUPAC2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine
SMILESCC1(C)C(N)C1(C)Cc1ccsc1
InChIInChI=1S/C11H17NS/c1-10(2)9(12)11(10,3)6-8-4-5-13-7-8/h4-5,7,9H,6,12H2,1-3H3
InChIKeyPXFFPGZYPRXHBN-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.66
Rot. Bonds2

About 2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine

2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine (PubChem CID 164646247) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine
PubChem CID164646247
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine
SMILESCC1(C)C(N)C1(C)Cc1ccsc1
InChIInChI=1S/C11H17NS/c1-10(2)9(12)11(10,3)6-8-4-5-13-7-8/h4-5,7,9H,6,12H2,1-3H3
InChIKeyPXFFPGZYPRXHBN-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 114534046
5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
CID 65177525
4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 62621420
3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene
CID 164652404
4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol
CID 130520190
2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine
CID 114535442
thiophen-3-ylmethanamine;dihydrochloride
CID 21114568
N,5-dimethyl-5-(thiophen-3-ylmethyl)oxolan-3-amine
CID 164646031
4-methyl-4-(thiophen-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 164646285
2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine
CID 66229730
2-(thiophen-3-ylmethoxy)ethanamine
CID 62343609
azane;3-propylthiophene
CID 174446539

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine (CID 164646247) is 2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine is CC1(C)C(N)C1(C)Cc1ccsc1.
What is the InChIKey of 2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine?
The InChIKey is PXFFPGZYPRXHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-10(2)9(12)11(10,3)6-8-4-5-13-7-8/h4-5,7,9H,6,12H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine?
2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 164646247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).