N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine

C17H32N2 — CID 154121257

IUPACN-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine
SMILESCCCCCCCCCCCC/N=C1\CC=C(C)N1
InChIInChI=1S/C17H32N2/c1-3-4-5-6-7-8-9-10-11-12-15-18-17-14-13-16(2)19-17/h13H,3-12,14-15H2,1-2H3,(H,18,19)
InChIKeyDKPONTSSLJMVTE-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.20
Rot. Bonds11

About N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine

N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine (PubChem CID 154121257) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine.

Molecular Properties

Compound NameN-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine
PubChem CID154121257
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine
SMILESCCCCCCCCCCCC/N=C1\CC=C(C)N1
InChIInChI=1S/C17H32N2/c1-3-4-5-6-7-8-9-10-11-12-15-18-17-14-13-16(2)19-17/h13H,3-12,14-15H2,1-2H3,(H,18,19)
InChIKeyDKPONTSSLJMVTE-UHFFFAOYSA-N
XLogP5.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.20
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

7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine
CID 71215593
[5-(Cycloundecen-1-yl)-1,5-diazacycloundec-6-ylidene]-bis(prop-2-enyl)azanium
CID 77379698
N-[(Z)-hept-3-en-3-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 132001887
4,5-didecyl-2-methyl-1H-imidazol-1-ium chloride
CID 140684023
N-dodecyl-3,3,5-trimethyl-1H-pyrrol-2-imine
CID 154085761
3,3,5-trimethyl-N-octadecyl-1H-pyrrol-2-imine
CID 154087421
N,1-didodecyl-3,3,5-trimethylpyrrol-2-imine
CID 154088420
N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide
CID 142875838

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine?
The IUPAC name of N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine (CID 154121257) is N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine.
What is the SMILES notation for N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine?
The canonical SMILES for N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine is CCCCCCCCCCCC/N=C1\CC=C(C)N1.
What is the InChIKey of N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine?
The InChIKey is DKPONTSSLJMVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-3-4-5-6-7-8-9-10-11-12-15-18-17-14-13-16(2)19-17/h13H,3-12,14-15H2,1-2H3,(H,18,19).
What are the key properties of N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine?
N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine has a molecular weight of 264.46 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine is sourced from PubChem (CID 154121257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).