N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine

C15H22N2OS — CID 62421351

IUPACN-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN(C)Cc1cccs1
InChIInChI=1S/C15H22N2OS/c1-3-7-16-10-13-6-8-18-15(13)12-17(2)11-14-5-4-9-19-14/h4-6,8-9,16H,3,7,10-12H2,1-2H3
InChIKeyAJEWFPBURQQREA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.47
Rot. Bonds8

About N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine

N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62421351) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62421351
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN(C)Cc1cccs1
InChIInChI=1S/C15H22N2OS/c1-3-7-16-10-13-6-8-18-15(13)12-17(2)11-14-5-4-9-19-14/h4-6,8-9,16H,3,7,10-12H2,1-2H3
InChIKeyAJEWFPBURQQREA-UHFFFAOYSA-N
XLogP3.47
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62420227
N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
CID 63726681
N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 112665475
N-[[5-methyl-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727702
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63008130
N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
CID 106886915
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682547
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
N-[[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461529
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (CID 62421351) is N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1CN(C)Cc1cccs1.
What is the InChIKey of N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is AJEWFPBURQQREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-7-16-10-13-6-8-18-15(13)12-17(2)11-14-5-4-9-19-14/h4-6,8-9,16H,3,7,10-12H2,1-2H3.
What are the key properties of N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62421351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).