N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine

C19H36N2 — CID 154085761

IUPACN-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine
SMILESCCCCCCCCCCCC/N=C1\NC(C)=CC1(C)C
InChIInChI=1S/C19H36N2/c1-5-6-7-8-9-10-11-12-13-14-15-20-18-19(3,4)16-17(2)21-18/h16H,5-15H2,1-4H3,(H,20,21)
InChIKeyWLOATVQRTNRBGO-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.84
Rot. Bonds11

About N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine

N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine (PubChem CID 154085761) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine.

Molecular Properties

Compound NameN-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine
PubChem CID154085761
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine
SMILESCCCCCCCCCCCC/N=C1\NC(C)=CC1(C)C
InChIInChI=1S/C19H36N2/c1-5-6-7-8-9-10-11-12-13-14-15-20-18-19(3,4)16-17(2)21-18/h16H,5-15H2,1-4H3,(H,20,21)
InChIKeyWLOATVQRTNRBGO-UHFFFAOYSA-N
XLogP5.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3,3,5-trimethyl-1H-pyrrol-2-imine
CID 137175445
3,3,5-trimethyl-N-octadecyl-1H-pyrrol-2-imine
CID 154087421
N,1-didodecyl-3,3,5-trimethylpyrrol-2-imine
CID 154088420
N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine
CID 154121257

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine?
The IUPAC name of N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine (CID 154085761) is N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine.
What is the SMILES notation for N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine?
The canonical SMILES for N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine is CCCCCCCCCCCC/N=C1\NC(C)=CC1(C)C.
What is the InChIKey of N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine?
The InChIKey is WLOATVQRTNRBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-5-6-7-8-9-10-11-12-13-14-15-20-18-19(3,4)16-17(2)21-18/h16H,5-15H2,1-4H3,(H,20,21).
What are the key properties of N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine?
N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine has a molecular weight of 292.51 g/mol, XLogP of 5.84, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine is sourced from PubChem (CID 154085761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).