N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine

C12H25NS — CID 107754168

IUPACN-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine
SMILESCC(C)CCSCC(C)CNC1CC1
InChIInChI=1S/C12H25NS/c1-10(2)6-7-14-9-11(3)8-13-12-4-5-12/h10-13H,4-9H2,1-3H3
InChIKeyMNHKQYVBAGVTIW-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.15
Rot. Bonds8

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

N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine (PubChem CID 107754168) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine
PubChem CID107754168
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine
SMILESCC(C)CCSCC(C)CNC1CC1
InChIInChI=1S/C12H25NS/c1-10(2)6-7-14-9-11(3)8-13-12-4-5-12/h10-13H,4-9H2,1-3H3
InChIKeyMNHKQYVBAGVTIW-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-3-(2-methylbutylsulfanyl)propyl]cyclopropanamine
CID 107754143
N-[2-(2-methylpropylsulfanyl)ethyl]cyclopropanamine
CID 61385742
N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine
CID 107754118
N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine
CID 114201229
N-(2-methyl-3-methylsulfanylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091044
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine
CID 62529767
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
CID 65079994
N,N'-dicyclopropyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62429720
N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine
CID 114899187
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine (CID 107754168) is N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine is CC(C)CCSCC(C)CNC1CC1.
What is the InChIKey of N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine?
The InChIKey is MNHKQYVBAGVTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-10(2)6-7-14-9-11(3)8-13-12-4-5-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine?
N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine has a molecular weight of 215.41 g/mol, XLogP of 3.15, 8 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-methylbutylsulfanyl)propyl]cyclopropanamine is sourced from PubChem (CID 107754168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).