N-methyl-2-prop-1-en-2-ylundecan-1-imine

C15H29N — CID 134556371

IUPACN-methyl-2-prop-1-en-2-ylundecan-1-imine
SMILESC=C(C)C(/C=N/C)CCCCCCCCC
InChIInChI=1S/C15H29N/c1-5-6-7-8-9-10-11-12-15(13-16-4)14(2)3/h13,15H,2,5-12H2,1,3-4H3/b16-13+
InChIKeyXIAXWLCUEUKBAD-DTQAZKPQSA-N
MW223.40 g/mol
LogP5.02
Rot. Bonds10

About N-methyl-2-prop-1-en-2-ylundecan-1-imine

N-methyl-2-prop-1-en-2-ylundecan-1-imine (PubChem CID 134556371) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-methyl-2-prop-1-en-2-ylundecan-1-imine.

Molecular Properties

Compound NameN-methyl-2-prop-1-en-2-ylundecan-1-imine
PubChem CID134556371
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-methyl-2-prop-1-en-2-ylundecan-1-imine
SMILESC=C(C)C(/C=N/C)CCCCCCCCC
InChIInChI=1S/C15H29N/c1-5-6-7-8-9-10-11-12-15(13-16-4)14(2)3/h13,15H,2,5-12H2,1,3-4H3/b16-13+
InChIKeyXIAXWLCUEUKBAD-DTQAZKPQSA-N
XLogP5.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-prop-1-en-2-ylundecan-1-imine?
The IUPAC name of N-methyl-2-prop-1-en-2-ylundecan-1-imine (CID 134556371) is N-methyl-2-prop-1-en-2-ylundecan-1-imine.
What is the SMILES notation for N-methyl-2-prop-1-en-2-ylundecan-1-imine?
The canonical SMILES for N-methyl-2-prop-1-en-2-ylundecan-1-imine is C=C(C)C(/C=N/C)CCCCCCCCC.
What is the InChIKey of N-methyl-2-prop-1-en-2-ylundecan-1-imine?
The InChIKey is XIAXWLCUEUKBAD-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H29N/c1-5-6-7-8-9-10-11-12-15(13-16-4)14(2)3/h13,15H,2,5-12H2,1,3-4H3/b16-13+.
What are the key properties of N-methyl-2-prop-1-en-2-ylundecan-1-imine?
N-methyl-2-prop-1-en-2-ylundecan-1-imine has a molecular weight of 223.40 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-prop-1-en-2-ylundecan-1-imine is sourced from PubChem (CID 134556371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).