N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine

C14H26N2OS — CID 114238247

IUPACN-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCSCCCN(C)Cc1cc(CNC(C)C)co1
InChIInChI=1S/C14H26N2OS/c1-12(2)15-9-13-8-14(17-11-13)10-16(3)6-5-7-18-4/h8,11-12,15H,5-7,9-10H2,1-4H3
InChIKeyGJVCUVDTUVPVMR-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.96
Rot. Bonds9

About N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine

N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 114238247) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID114238247
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCSCCCN(C)Cc1cc(CNC(C)C)co1
InChIInChI=1S/C14H26N2OS/c1-12(2)15-9-13-8-14(17-11-13)10-16(3)6-5-7-18-4/h8,11-12,15H,5-7,9-10H2,1-4H3
InChIKeyGJVCUVDTUVPVMR-UHFFFAOYSA-N
XLogP2.96
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.96
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,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine
CID 113498791
N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62433273
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63274233
N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79488811
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481155
N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62418480
2-methyl-N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63209130
2-methyl-N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 81067972
3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63007586
N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine
CID 79679317
N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62428170

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine (CID 114238247) is N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine is CSCCCN(C)Cc1cc(CNC(C)C)co1.
What is the InChIKey of N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is GJVCUVDTUVPVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12(2)15-9-13-8-14(17-11-13)10-16(3)6-5-7-18-4/h8,11-12,15H,5-7,9-10H2,1-4H3.
What are the key properties of N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine?
N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114238247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).