(3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine

C17H26N2 — CID 129179105

IUPAC(3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine
SMILESC=CNC1=NC=C/C1=C(/C=C)C(C)CCCCCC
InChIInChI=1S/C17H26N2/c1-5-8-9-10-11-14(4)15(6-2)16-12-13-19-17(16)18-7-3/h6-7,12-14H,2-3,5,8-11H2,1,4H3,(H,18,19)/b16-15+
InChIKeyHKBIFTGWNNRDSI-FOCLMDBBSA-N
MW258.41 g/mol
LogP4.73
Rot. Bonds8

About (3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine

(3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine (PubChem CID 129179105) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine.

Molecular Properties

Compound Name(3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine
PubChem CID129179105
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine
SMILESC=CNC1=NC=C/C1=C(/C=C)C(C)CCCCCC
InChIInChI=1S/C17H26N2/c1-5-8-9-10-11-14(4)15(6-2)16-12-13-19-17(16)18-7-3/h6-7,12-14H,2-3,5,8-11H2,1,4H3,(H,18,19)/b16-15+
InChIKeyHKBIFTGWNNRDSI-FOCLMDBBSA-N
XLogP4.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.73
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 (3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine?
The IUPAC name of (3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine (CID 129179105) is (3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine.
What is the SMILES notation for (3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine?
The canonical SMILES for (3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine is C=CNC1=NC=C/C1=C(/C=C)C(C)CCCCCC.
What is the InChIKey of (3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine?
The InChIKey is HKBIFTGWNNRDSI-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H26N2/c1-5-8-9-10-11-14(4)15(6-2)16-12-13-19-17(16)18-7-3/h6-7,12-14H,2-3,5,8-11H2,1,4H3,(H,18,19)/b16-15+.
What are the key properties of (3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine?
(3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine has a molecular weight of 258.41 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine is sourced from PubChem (CID 129179105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).