N-(hexan-2-ylideneamino)-N-phenylaniline

C18H22N2 — CID 87707518

IUPACN-(hexan-2-ylideneamino)-N-phenylaniline
SMILESCCCCC(C)=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2/c1-3-4-11-16(2)19-20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15H,3-4,11H2,1-2H3
InChIKeyBLXRZMFRRYCFAI-UHFFFAOYSA-N
MW266.39 g/mol
LogP5.39
Rot. Bonds6

About N-(hexan-2-ylideneamino)-N-phenylaniline

N-(hexan-2-ylideneamino)-N-phenylaniline (PubChem CID 87707518) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(hexan-2-ylideneamino)-N-phenylaniline.

Molecular Properties

Compound NameN-(hexan-2-ylideneamino)-N-phenylaniline
PubChem CID87707518
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-(hexan-2-ylideneamino)-N-phenylaniline
SMILESCCCCC(C)=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2/c1-3-4-11-16(2)19-20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15H,3-4,11H2,1-2H3
InChIKeyBLXRZMFRRYCFAI-UHFFFAOYSA-N
XLogP5.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(hexan-2-ylideneamino)-N-phenylaniline?
The IUPAC name of N-(hexan-2-ylideneamino)-N-phenylaniline (CID 87707518) is N-(hexan-2-ylideneamino)-N-phenylaniline.
What is the SMILES notation for N-(hexan-2-ylideneamino)-N-phenylaniline?
The canonical SMILES for N-(hexan-2-ylideneamino)-N-phenylaniline is CCCCC(C)=NN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(hexan-2-ylideneamino)-N-phenylaniline?
The InChIKey is BLXRZMFRRYCFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-4-11-16(2)19-20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15H,3-4,11H2,1-2H3.
What are the key properties of N-(hexan-2-ylideneamino)-N-phenylaniline?
N-(hexan-2-ylideneamino)-N-phenylaniline has a molecular weight of 266.39 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexan-2-ylideneamino)-N-phenylaniline is sourced from PubChem (CID 87707518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).