N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine

C15H28N2OS — CID 112665693

IUPACN-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
SMILESCCCNCc1ccoc1CN(C)C(CC)CSC
InChIInChI=1S/C15H28N2OS/c1-5-8-16-10-13-7-9-18-15(13)11-17(3)14(6-2)12-19-4/h7,9,14,16H,5-6,8,10-12H2,1-4H3
InChIKeyCZTFHZURYQJSNZ-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.35
Rot. Bonds10

About N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine

N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine (PubChem CID 112665693) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
PubChem CID112665693
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
SMILESCCCNCc1ccoc1CN(C)C(CC)CSC
InChIInChI=1S/C15H28N2OS/c1-5-8-16-10-13-7-9-18-15(13)11-17(3)14(6-2)12-19-4/h7,9,14,16H,5-6,8,10-12H2,1-4H3
InChIKeyCZTFHZURYQJSNZ-UHFFFAOYSA-N
XLogP3.35
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine with MolForge

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Related Compounds

N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 112665475
N-[[2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62432136
N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
CID 63726681
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63008130
N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62421351
3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 112666648
N-ethyl-2-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62418025
N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 112666114
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62438844
N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432117
3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62435794

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The IUPAC name of N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine (CID 112665693) is N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine is CCCNCc1ccoc1CN(C)C(CC)CSC.
What is the InChIKey of N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The InChIKey is CZTFHZURYQJSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-5-8-16-10-13-7-9-18-15(13)11-17(3)14(6-2)12-19-4/h7,9,14,16H,5-6,8,10-12H2,1-4H3.
What are the key properties of N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine?
N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine has a molecular weight of 284.47 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 112665693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).