N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine

C13H25NS — CID 123975804

IUPACN,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine
SMILESCNC1(C)C(C(C)C)C1(SC)C1CC1C
InChIInChI=1S/C13H25NS/c1-8(2)11-12(4,14-5)13(11,15-6)10-7-9(10)3/h8-11,14H,7H2,1-6H3
InChIKeyXFLICNBCBPSNGT-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.01
Rot. Bonds4

About N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine

N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine (PubChem CID 123975804) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound NameN,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine
PubChem CID123975804
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine
SMILESCNC1(C)C(C(C)C)C1(SC)C1CC1C
InChIInChI=1S/C13H25NS/c1-8(2)11-12(4,14-5)13(11,15-6)10-7-9(10)3/h8-11,14H,7H2,1-6H3
InChIKeyXFLICNBCBPSNGT-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine?
The IUPAC name of N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine (CID 123975804) is N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine is CNC1(C)C(C(C)C)C1(SC)C1CC1C.
What is the InChIKey of N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine?
The InChIKey is XFLICNBCBPSNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-8(2)11-12(4,14-5)13(11,15-6)10-7-9(10)3/h8-11,14H,7H2,1-6H3.
What are the key properties of N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine?
N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-(2-methylcyclopropyl)-2-methylsulfanyl-3-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 123975804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).