N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine

C15H26N2OS — CID 55074791

IUPACN-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine
SMILESCN(Cc1cc(CNC(C)(C)C)co1)C1CCSC1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)16-8-12-7-14(18-10-12)9-17(4)13-5-6-19-11-13/h7,10,13,16H,5-6,8-9,11H2,1-4H3
InChIKeySKLAHPUQSHNYNZ-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.11
Rot. Bonds5

About N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine

N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine (PubChem CID 55074791) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine
PubChem CID55074791
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine
SMILESCN(Cc1cc(CNC(C)(C)C)co1)C1CCSC1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)16-8-12-7-14(18-10-12)9-17(4)13-5-6-19-11-13/h7,10,13,16H,5-6,8-9,11H2,1-4H3
InChIKeySKLAHPUQSHNYNZ-UHFFFAOYSA-N
XLogP3.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62422910
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426679
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62429083
2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431007
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 62421855
N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine
CID 55074646
N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62439185
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline
CID 62424681
[5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol
CID 115880216
N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine
CID 130863024
N-[[5-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62444439

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine (CID 55074791) is N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine is CN(Cc1cc(CNC(C)(C)C)co1)C1CCSC1.
What is the InChIKey of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine?
The InChIKey is SKLAHPUQSHNYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(2,3)16-8-12-7-14(18-10-12)9-17(4)13-5-6-19-11-13/h7,10,13,16H,5-6,8-9,11H2,1-4H3.
What are the key properties of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine?
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine has a molecular weight of 282.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 55074791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).