N-[(1-decylpyrrol-2-yl)methyl]ethanamine

C17H32N2 — CID 66402163

IUPACN-[(1-decylpyrrol-2-yl)methyl]ethanamine
SMILESCCCCCCCCCCn1cccc1CNCC
InChIInChI=1S/C17H32N2/c1-3-5-6-7-8-9-10-11-14-19-15-12-13-17(19)16-18-4-2/h12-13,15,18H,3-11,14,16H2,1-2H3
InChIKeyCXVLLFKUPWTDFT-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.74
Rot. Bonds12

About N-[(1-decylpyrrol-2-yl)methyl]ethanamine

N-[(1-decylpyrrol-2-yl)methyl]ethanamine (PubChem CID 66402163) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[(1-decylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-decylpyrrol-2-yl)methyl]ethanamine
PubChem CID66402163
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[(1-decylpyrrol-2-yl)methyl]ethanamine
SMILESCCCCCCCCCCn1cccc1CNCC
InChIInChI=1S/C17H32N2/c1-3-5-6-7-8-9-10-11-14-19-15-12-13-17(19)16-18-4-2/h12-13,15,18H,3-11,14,16H2,1-2H3
InChIKeyCXVLLFKUPWTDFT-UHFFFAOYSA-N
XLogP4.74
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(1-decylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-decylpyrrol-2-yl)methyl]ethanamine (CID 66402163) is N-[(1-decylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-decylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-decylpyrrol-2-yl)methyl]ethanamine is CCCCCCCCCCn1cccc1CNCC.
What is the InChIKey of N-[(1-decylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is CXVLLFKUPWTDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-3-5-6-7-8-9-10-11-14-19-15-12-13-17(19)16-18-4-2/h12-13,15,18H,3-11,14,16H2,1-2H3.
What are the key properties of N-[(1-decylpyrrol-2-yl)methyl]ethanamine?
N-[(1-decylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 264.46 g/mol, XLogP of 4.74, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-decylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 66402163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).