2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine

C20H32N2 — CID 172559371

IUPAC2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine
SMILESCC(C)/C=N/C(C)(C)c1cccc(C(C)(C)/N=C/C(C)C)c1
InChIInChI=1S/C20H32N2/c1-15(2)13-21-19(5,6)17-10-9-11-18(12-17)20(7,8)22-14-16(3)4/h9-16H,1-8H3/b21-13+,22-14+
InChIKeyRFMSAZZOPHTWOL-JFMUQQRKSA-N
MW300.49 g/mol
LogP5.61
Rot. Bonds6

About 2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine

2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine (PubChem CID 172559371) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine
PubChem CID172559371
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine
SMILESCC(C)/C=N/C(C)(C)c1cccc(C(C)(C)/N=C/C(C)C)c1
InChIInChI=1S/C20H32N2/c1-15(2)13-21-19(5,6)17-10-9-11-18(12-17)20(7,8)22-14-16(3)4/h9-16H,1-8H3/b21-13+,22-14+
InChIKeyRFMSAZZOPHTWOL-JFMUQQRKSA-N
XLogP5.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.61
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 2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine?
The IUPAC name of 2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine (CID 172559371) is 2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine.
What is the SMILES notation for 2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine?
The canonical SMILES for 2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine is CC(C)/C=N/C(C)(C)c1cccc(C(C)(C)/N=C/C(C)C)c1.
What is the InChIKey of 2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine?
The InChIKey is RFMSAZZOPHTWOL-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H32N2/c1-15(2)13-21-19(5,6)17-10-9-11-18(12-17)20(7,8)22-14-16(3)4/h9-16H,1-8H3/b21-13+,22-14+.
What are the key properties of 2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine?
2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine has a molecular weight of 300.49 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine is sourced from PubChem (CID 172559371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).