N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine

C14H24N2S — CID 54976929

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCc1cc(CNCCN2CCCCC2)c(C)s1
InChIInChI=1S/C14H24N2S/c1-12-10-14(13(2)17-12)11-15-6-9-16-7-4-3-5-8-16/h10,15H,3-9,11H2,1-2H3
InChIKeyVRNOFDNAWXRQHA-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.94
Rot. Bonds5

About N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine

N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 54976929) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID54976929
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCc1cc(CNCCN2CCCCC2)c(C)s1
InChIInChI=1S/C14H24N2S/c1-12-10-14(13(2)17-12)11-15-6-9-16-7-4-3-5-8-16/h10,15H,3-9,11H2,1-2H3
InChIKeyVRNOFDNAWXRQHA-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.94
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-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine (CID 54976929) is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine is Cc1cc(CNCCN2CCCCC2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is VRNOFDNAWXRQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12-10-14(13(2)17-12)11-15-6-9-16-7-4-3-5-8-16/h10,15H,3-9,11H2,1-2H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 252.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 54976929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).