N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine

C17H24N2OS — CID 62427917

IUPACN-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN2CCc3sccc3C2C)c1
InChIInChI=1S/C17H24N2OS/c1-3-6-18-10-14-9-15(20-12-14)11-19-7-4-17-16(13(19)2)5-8-21-17/h5,8-9,12-13,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyKAUQHMUPZFKZOH-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.96
Rot. Bonds6

About N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine

N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62427917) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62427917
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN2CCc3sccc3C2C)c1
InChIInChI=1S/C17H24N2OS/c1-3-6-18-10-14-9-15(20-12-14)11-19-7-4-17-16(13(19)2)5-8-21-17/h5,8-9,12-13,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyKAUQHMUPZFKZOH-UHFFFAOYSA-N
XLogP3.96
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62412126
2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine
CID 63495889
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]furan-3-yl]methyl]propan-1-amine
CID 62888715
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-2-amine
CID 55008664
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]furan-3-yl]methyl]ethanamine
CID 55074754
N-ethyl-2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentan-1-amine
CID 62256067
5-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103998198
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 106316636
4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline
CID 79583191
N-[[5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 107456266
2-[4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]acetic acid
CID 105345909
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine (CID 62427917) is N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1coc(CN2CCc3sccc3C2C)c1.
What is the InChIKey of N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is KAUQHMUPZFKZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-6-18-10-14-9-15(20-12-14)11-19-7-4-17-16(13(19)2)5-8-21-17/h5,8-9,12-13,18H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine?
N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62427917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).