N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine

C17H27NS — CID 83139827

IUPACN-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine
SMILESCC(C)(C)C(CCSc1ccccc1)CNC1CC1
InChIInChI=1S/C17H27NS/c1-17(2,3)14(13-18-15-9-10-15)11-12-19-16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3
InChIKeyYKEOIKOMYDDZLZ-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.58
Rot. Bonds7

About N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine

N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine (PubChem CID 83139827) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine
PubChem CID83139827
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine
SMILESCC(C)(C)C(CCSc1ccccc1)CNC1CC1
InChIInChI=1S/C17H27NS/c1-17(2,3)14(13-18-15-9-10-15)11-12-19-16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3
InChIKeyYKEOIKOMYDDZLZ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine
CID 79228974
3,3-dimethyl-2-(2-phenylsulfanylethyl)-N-propan-2-ylbutan-1-amine
CID 83139032
N-[3,3-dimethyl-2-(2-phenoxyethyl)butyl]cyclopropanamine
CID 83139427
N-[4-methyl-2-(2-phenylsulfanylethyl)pentyl]cyclopropanamine
CID 79228483
N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine
CID 114899233
N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine
CID 83139717
N-(2-tert-butyloctyl)cyclopropanamine
CID 83138646
N-(2-tert-butylnonyl)cyclopropanamine
CID 83139036
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-(2-phenylsulfanylethyl)-4-propylcycloheptan-1-amine
CID 65091598
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine?
The IUPAC name of N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine (CID 83139827) is N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine is CC(C)(C)C(CCSc1ccccc1)CNC1CC1.
What is the InChIKey of N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine?
The InChIKey is YKEOIKOMYDDZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-17(2,3)14(13-18-15-9-10-15)11-12-19-16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3.
What are the key properties of N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine?
N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine has a molecular weight of 277.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine is sourced from PubChem (CID 83139827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).