N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine

C14H20N2 — CID 163934302

IUPACN-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine
SMILESC=Nc1ccc(CC/C=N/C(C)(C)C)cc1
InChIInChI=1S/C14H20N2/c1-14(2,3)16-11-5-6-12-7-9-13(15-4)10-8-12/h7-11H,4-6H2,1-3H3/b16-11+
InChIKeyRLJGAFNLDYVRJB-LFIBNONCSA-N
MW216.33 g/mol
LogP3.82
Rot. Bonds4

About N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine

N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine (PubChem CID 163934302) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine
PubChem CID163934302
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine
SMILESC=Nc1ccc(CC/C=N/C(C)(C)C)cc1
InChIInChI=1S/C14H20N2/c1-14(2,3)16-11-5-6-12-7-9-13(15-4)10-8-12/h7-11H,4-6H2,1-3H3/b16-11+
InChIKeyRLJGAFNLDYVRJB-LFIBNONCSA-N
XLogP3.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.82
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-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine?
The IUPAC name of N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine (CID 163934302) is N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine.
What is the SMILES notation for N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine?
The canonical SMILES for N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine is C=Nc1ccc(CC/C=N/C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine?
The InChIKey is RLJGAFNLDYVRJB-LFIBNONCSA-N. The full InChI is InChI=1S/C14H20N2/c1-14(2,3)16-11-5-6-12-7-9-13(15-4)10-8-12/h7-11H,4-6H2,1-3H3/b16-11+.
What are the key properties of N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine?
N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine has a molecular weight of 216.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine is sourced from PubChem (CID 163934302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).