N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine

C17H23N — CID 11184081

IUPACN-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine
SMILESCCCCC#Cc1ccccc1/C=N/C(C)(C)C
InChIInChI=1S/C17H23N/c1-5-6-7-8-11-15-12-9-10-13-16(15)14-18-17(2,3)4/h9-10,12-14H,5-7H2,1-4H3/b18-14+
InChIKeyYJMVZBPZHYNOHD-NBVRZTHBSA-N
MW241.38 g/mol
LogP4.45
Rot. Bonds3

About N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine

N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine (PubChem CID 11184081) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine
PubChem CID11184081
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine
SMILESCCCCC#Cc1ccccc1/C=N/C(C)(C)C
InChIInChI=1S/C17H23N/c1-5-6-7-8-11-15-12-9-10-13-16(15)14-18-17(2,3)4/h9-10,12-14H,5-7H2,1-4H3/b18-14+
InChIKeyYJMVZBPZHYNOHD-NBVRZTHBSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
N-Benzylidenepropylamine
CID 250250
2-Methylbenzaldehyde azine
CID 9580346
1-(2-but-3-ynylphenyl)-N-methylmethanimine oxide
CID 42628277
Decylamine, N-benzylidene-
CID 525554
Benzylideneoctylamine
CID 525558
(E)-N-isopentyl-1-phenylmethanimine
CID 15061859
Hexylamine, N-benzylidene-
CID 525556
1-Pentanamine, N-(phenylmethylene)-
CID 525559

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine (CID 11184081) is N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine is CCCCC#Cc1ccccc1/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine?
The InChIKey is YJMVZBPZHYNOHD-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H23N/c1-5-6-7-8-11-15-12-9-10-13-16(15)14-18-17(2,3)4/h9-10,12-14H,5-7H2,1-4H3/b18-14+.
What are the key properties of N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine?
N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine has a molecular weight of 241.38 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-hex-1-ynylphenyl)methanimine is sourced from PubChem (CID 11184081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).