N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

C18H32N2S — CID 103503337

IUPACN-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCC(C(C)C)CC2)c(C)s1
InChIInChI=1S/C18H32N2S/c1-5-8-19-12-18-11-17(15(4)21-18)13-20-9-6-16(7-10-20)14(2)3/h11,14,16,19H,5-10,12-13H2,1-4H3
InChIKeyYSELCMUNSYCJKD-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.42
Rot. Bonds7

About N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 103503337) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID103503337
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC NameN-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCC(C(C)C)CC2)c(C)s1
InChIInChI=1S/C18H32N2S/c1-5-8-19-12-18-11-17(15(4)21-18)13-20-9-6-16(7-10-20)14(2)3/h11,14,16,19H,5-10,12-13H2,1-4H3
InChIKeyYSELCMUNSYCJKD-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.42
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-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (CID 103503337) is N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN2CCC(C(C)C)CC2)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is YSELCMUNSYCJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-8-19-12-18-11-17(15(4)21-18)13-20-9-6-16(7-10-20)14(2)3/h11,14,16,19H,5-10,12-13H2,1-4H3.
What are the key properties of N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103503337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).