N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine

C16H22N2 — CID 18962771

IUPACN'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine
SMILESC=C(C)c1cccc(C(C)CN=C=NC(C)C)c1
InChIInChI=1S/C16H22N2/c1-12(2)15-7-6-8-16(9-15)14(5)10-17-11-18-13(3)4/h6-9,13-14H,1,10H2,2-5H3
InChIKeyMFGUMYTYSQJRIP-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.41
Rot. Bonds5

About N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine

N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine (PubChem CID 18962771) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine.

Molecular Properties

Compound NameN'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine
PubChem CID18962771
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine
SMILESC=C(C)c1cccc(C(C)CN=C=NC(C)C)c1
InChIInChI=1S/C16H22N2/c1-12(2)15-7-6-8-16(9-15)14(5)10-17-11-18-13(3)4/h6-9,13-14H,1,10H2,2-5H3
InChIKeyMFGUMYTYSQJRIP-UHFFFAOYSA-N
XLogP4.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine?
The IUPAC name of N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine (CID 18962771) is N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine.
What is the SMILES notation for N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine?
The canonical SMILES for N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine is C=C(C)c1cccc(C(C)CN=C=NC(C)C)c1.
What is the InChIKey of N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine?
The InChIKey is MFGUMYTYSQJRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12(2)15-7-6-8-16(9-15)14(5)10-17-11-18-13(3)4/h6-9,13-14H,1,10H2,2-5H3.
What are the key properties of N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine?
N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine has a molecular weight of 242.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-[2-(3-prop-1-en-2-ylphenyl)propyl]methanediimine is sourced from PubChem (CID 18962771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).