1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine

C14H26N2OS — CID 54953777

IUPAC1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine
SMILESCSCc1ccc(CNC(CN(C)C)C(C)C)o1
InChIInChI=1S/C14H26N2OS/c1-11(2)14(9-16(3)4)15-8-12-6-7-13(17-12)10-18-5/h6-7,11,14-15H,8-10H2,1-5H3
InChIKeyYFIFAHHGWIEZKG-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.82
Rot. Bonds8

About 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine (PubChem CID 54953777) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine
PubChem CID54953777
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine
SMILESCSCc1ccc(CNC(CN(C)C)C(C)C)o1
InChIInChI=1S/C14H26N2OS/c1-11(2)14(9-16(3)4)15-8-12-6-7-13(17-12)10-18-5/h6-7,11,14-15H,8-10H2,1-5H3
InChIKeyYFIFAHHGWIEZKG-UHFFFAOYSA-N
XLogP2.82
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine with MolForge

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Related Compounds

N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 82710130
(1S)-1-(4-methoxyphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81370186
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 43781321
(1S)-1-(3-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81364045
N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine
CID 107764107
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103855059
1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43779085
N-(1-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 79253016
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 115655562
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine
CID 61222112
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115621805

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine (CID 54953777) is 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine is CSCc1ccc(CNC(CN(C)C)C(C)C)o1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine?
The InChIKey is YFIFAHHGWIEZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11(2)14(9-16(3)4)15-8-12-6-7-13(17-12)10-18-5/h6-7,11,14-15H,8-10H2,1-5H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine has a molecular weight of 270.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine is sourced from PubChem (CID 54953777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).