N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine

C12H25NS — CID 107754118

IUPACN-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)CSC(C)C(C)C
InChIInChI=1S/C12H25NS/c1-9(2)11(4)14-8-10(3)7-13-12-5-6-12/h9-13H,5-8H2,1-4H3
InChIKeyFPKWIVSXIIEMEC-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.15
Rot. Bonds7

About N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine

N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine (PubChem CID 107754118) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine
PubChem CID107754118
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)CSC(C)C(C)C
InChIInChI=1S/C12H25NS/c1-9(2)11(4)14-8-10(3)7-13-12-5-6-12/h9-13H,5-8H2,1-4H3
InChIKeyFPKWIVSXIIEMEC-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-methyl-3-(2-methylbutylsulfanyl)propyl]cyclopropanamine
CID 107754143
N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine
CID 107754168
N-(2-methyl-3-methylsulfanylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091044
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine
CID 64500716
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
CID 65079994
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine
CID 65091091
2-(cyclopropylamino)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63960182
N-[2-methyl-3-(2-methylpentoxy)propyl]cyclopropanamine
CID 103284483
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine
CID 114201229

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine (CID 107754118) is N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine is CC(CNC1CC1)CSC(C)C(C)C.
What is the InChIKey of N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine?
The InChIKey is FPKWIVSXIIEMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-9(2)11(4)14-8-10(3)7-13-12-5-6-12/h9-13H,5-8H2,1-4H3.
What are the key properties of N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine?
N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine has a molecular weight of 215.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine is sourced from PubChem (CID 107754118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).