2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine

C18H34N2 — CID 66401049

IUPAC2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
SMILESCCCCCCCCCn1cccc1CNC(C)(C)C
InChIInChI=1S/C18H34N2/c1-5-6-7-8-9-10-11-14-20-15-12-13-17(20)16-19-18(2,3)4/h12-13,15,19H,5-11,14,16H2,1-4H3
InChIKeyXEULNLVDLSHPOZ-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.13
Rot. Bonds10

About 2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine

2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine (PubChem CID 66401049) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
PubChem CID66401049
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
SMILESCCCCCCCCCn1cccc1CNC(C)(C)C
InChIInChI=1S/C18H34N2/c1-5-6-7-8-9-10-11-14-20-15-12-13-17(20)16-19-18(2,3)4/h12-13,15,19H,5-11,14,16H2,1-4H3
InChIKeyXEULNLVDLSHPOZ-UHFFFAOYSA-N
XLogP5.13
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.13
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 2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine (CID 66401049) is 2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine is CCCCCCCCCn1cccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine?
The InChIKey is XEULNLVDLSHPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-6-7-8-9-10-11-14-20-15-12-13-17(20)16-19-18(2,3)4/h12-13,15,19H,5-11,14,16H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine?
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine has a molecular weight of 278.48 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66401049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).