N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine

C15H28N2S — CID 80727545

IUPACN,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)CC(C)C)c(C)s1
InChIInChI=1S/C15H28N2S/c1-6-7-16-9-15-8-14(13(4)18-15)11-17(5)10-12(2)3/h8,12,16H,6-7,9-11H2,1-5H3
InChIKeyXAGROVYKHDWMBV-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.64
Rot. Bonds8

About N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine

N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine (PubChem CID 80727545) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
PubChem CID80727545
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)CC(C)C)c(C)s1
InChIInChI=1S/C15H28N2S/c1-6-7-16-9-15-8-14(13(4)18-15)11-17(5)10-12(2)3/h8,12,16H,6-7,9-11H2,1-5H3
InChIKeyXAGROVYKHDWMBV-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine (CID 80727545) is N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN(C)CC(C)C)c(C)s1.
What is the InChIKey of N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine?
The InChIKey is XAGROVYKHDWMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-6-7-16-9-15-8-14(13(4)18-15)11-17(5)10-12(2)3/h8,12,16H,6-7,9-11H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine?
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 80727545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).