2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline

C14H22N2 — CID 139982506

IUPAC2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline
SMILESC/C(CC(C)C)=N\C(C)c1ccccc1N
InChIInChI=1S/C14H22N2/c1-10(2)9-11(3)16-12(4)13-7-5-6-8-14(13)15/h5-8,10,12H,9,15H2,1-4H3/b16-11+
InChIKeyMOXLUULKQWWJDQ-LFIBNONCSA-N
MW218.34 g/mol
LogP3.84
Rot. Bonds4

About 2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline

2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline (PubChem CID 139982506) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline.

Molecular Properties

Compound Name2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline
PubChem CID139982506
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline
SMILESC/C(CC(C)C)=N\C(C)c1ccccc1N
InChIInChI=1S/C14H22N2/c1-10(2)9-11(3)16-12(4)13-7-5-6-8-14(13)15/h5-8,10,12H,9,15H2,1-4H3/b16-11+
InChIKeyMOXLUULKQWWJDQ-LFIBNONCSA-N
XLogP3.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline?
The IUPAC name of 2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline (CID 139982506) is 2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline.
What is the SMILES notation for 2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline?
The canonical SMILES for 2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline is C/C(CC(C)C)=N\C(C)c1ccccc1N.
What is the InChIKey of 2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline?
The InChIKey is MOXLUULKQWWJDQ-LFIBNONCSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)9-11(3)16-12(4)13-7-5-6-8-14(13)15/h5-8,10,12H,9,15H2,1-4H3/b16-11+.
What are the key properties of 2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline?
2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline is sourced from PubChem (CID 139982506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).