N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine

C16H23N3S — CID 107555954

IUPACN-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)Cc2ccccn2)s1
InChIInChI=1S/C16H23N3S/c1-3-9-17-11-15-7-8-16(20-15)13-19(2)12-14-6-4-5-10-18-14/h4-8,10,17H,3,9,11-13H2,1-2H3
InChIKeyGGBRMWVGUKCKEQ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.27
Rot. Bonds8

About N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107555954) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107555954
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)Cc2ccccn2)s1
InChIInChI=1S/C16H23N3S/c1-3-9-17-11-15-7-8-16(20-15)13-19(2)12-14-6-4-5-10-18-14/h4-8,10,17H,3,9,11-13H2,1-2H3
InChIKeyGGBRMWVGUKCKEQ-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.27
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-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62431944
N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62431761
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63571803
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565230
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902294
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555362
N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115463733

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine (CID 107555954) is N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN(C)Cc2ccccn2)s1.
What is the InChIKey of N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is GGBRMWVGUKCKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-9-17-11-15-7-8-16(20-15)13-19(2)12-14-6-4-5-10-18-14/h4-8,10,17H,3,9,11-13H2,1-2H3.
What are the key properties of N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107555954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).