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

C15H22N2OS — CID 62421744

IUPACN-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1CN(C)Cc1ccsc1
InChIInChI=1S/C15H22N2OS/c1-12(2)16-8-15-14(4-6-18-15)10-17(3)9-13-5-7-19-11-13/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyYHJFLPVHXQSNPR-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.47
Rot. Bonds7

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

N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62421744) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62421744
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1CN(C)Cc1ccsc1
InChIInChI=1S/C15H22N2OS/c1-12(2)16-8-15-14(4-6-18-15)10-17(3)9-13-5-7-19-11-13/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyYHJFLPVHXQSNPR-UHFFFAOYSA-N
XLogP3.47
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
N-methyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62419285
N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62426847
N-[[2-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62411999
N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline
CID 62462156
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 63699522
2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62421937
N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420998
N-[[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431387
4-N-methyl-1-N-propan-2-yl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421578
N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278910
N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62413219

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine (CID 62421744) is N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1CN(C)Cc1ccsc1.
What is the InChIKey of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is YHJFLPVHXQSNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12(2)16-8-15-14(4-6-18-15)10-17(3)9-13-5-7-19-11-13/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62421744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).