N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine

C17H31N3S — CID 80720708

IUPACN,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine
SMILESCCCNCc1cc(CN2CCC(N(C)C)CC2)c(C)s1
InChIInChI=1S/C17H31N3S/c1-5-8-18-12-17-11-15(14(2)21-17)13-20-9-6-16(7-10-20)19(3)4/h11,16,18H,5-10,12-13H2,1-4H3
InChIKeyUDGYVUYKNLKQAA-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.08
Rot. Bonds7

About N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine

N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine (PubChem CID 80720708) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine
PubChem CID80720708
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine
SMILESCCCNCc1cc(CN2CCC(N(C)C)CC2)c(C)s1
InChIInChI=1S/C17H31N3S/c1-5-8-18-12-17-11-15(14(2)21-17)13-20-9-6-16(7-10-20)19(3)4/h11,16,18H,5-10,12-13H2,1-4H3
InChIKeyUDGYVUYKNLKQAA-UHFFFAOYSA-N
XLogP3.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine (CID 80720708) is N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine is CCCNCc1cc(CN2CCC(N(C)C)CC2)c(C)s1.
What is the InChIKey of N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine?
The InChIKey is UDGYVUYKNLKQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-5-8-18-12-17-11-15(14(2)21-17)13-20-9-6-16(7-10-20)19(3)4/h11,16,18H,5-10,12-13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine?
N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine has a molecular weight of 309.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 80720708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).