N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine

C16H19NS — CID 2355151

IUPACN-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine
SMILESCc1ccsc1/C=N/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H19NS/c1-12-9-10-18-15(12)11-17-14-7-5-13(6-8-14)16(2,3)4/h5-11H,1-4H3/b17-11+
InChIKeyTWASPWDGOVVNRJ-GZTJUZNOSA-N
MW257.40 g/mol
LogP5.10
Rot. Bonds2

About N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine

N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine (PubChem CID 2355151) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine
PubChem CID2355151
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine
SMILESCc1ccsc1/C=N/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H19NS/c1-12-9-10-18-15(12)11-17-14-7-5-13(6-8-14)16(2,3)4/h5-11H,1-4H3/b17-11+
InChIKeyTWASPWDGOVVNRJ-GZTJUZNOSA-N
XLogP5.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 717514
CID 717514
CID 832534
CID 832534
CID 318590
CID 318590
CID 2351311
CID 2351311
CID 2351477
CID 2351477
CID 317645
CID 317645
CID 964584
CID 964584
CID 164672991
CID 164672991
CID 681036
CID 681036
CID 2346269
CID 2346269
CID 2351502
CID 2351502
CID 2824292
CID 2824292

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine?
The IUPAC name of N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine (CID 2355151) is N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine is Cc1ccsc1/C=N/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine?
The InChIKey is TWASPWDGOVVNRJ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-9-10-18-15(12)11-17-14-7-5-13(6-8-14)16(2,3)4/h5-11H,1-4H3/b17-11+.
What are the key properties of N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine?
N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine has a molecular weight of 257.40 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(3-methylthiophen-2-yl)methanimine is sourced from PubChem (CID 2355151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).