1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine

C15H23NS — CID 117034899

IUPAC1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(Sc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C15H23NS/c1-14(2,3)12-5-7-13(8-6-12)17-15(9-10-15)11-16-4/h5-8,16H,9-11H2,1-4H3
InChIKeyQIJABJPZGFWMMW-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.83
Rot. Bonds4

About 1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine

1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine (PubChem CID 117034899) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
PubChem CID117034899
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(Sc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C15H23NS/c1-14(2,3)12-5-7-13(8-6-12)17-15(9-10-15)11-16-4/h5-8,16H,9-11H2,1-4H3
InChIKeyQIJABJPZGFWMMW-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034869
1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034879
N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine
CID 117034892
1-tert-butyl-4-[2-(4-tert-butylphenyl)sulfanylethylsulfanyl]benzene
CID 12781251
(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943497
1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244691
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride
CID 119820132
N-[(1-phenylsulfanylcyclopropyl)methyl]butan-2-amine
CID 115718486
(1-ethylcyclopropyl)sulfanylbenzene
CID 12836417
2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119782926
2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
CID 119344397

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine (CID 117034899) is 1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine is CNCC1(Sc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine?
The InChIKey is QIJABJPZGFWMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-14(2,3)12-5-7-13(8-6-12)17-15(9-10-15)11-16-4/h5-8,16H,9-11H2,1-4H3.
What are the key properties of 1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine?
1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine has a molecular weight of 249.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 117034899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).