N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine)

C64H76N14 — CID 159732447

IUPACN,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine)
SMILESC/N=C(C(=N/C)/c1ccccc1)\c1ccccc1.C/N=C(\C)c1ccccn1.C/N=C/c1ccccn1.C/N=C/c1ccccn1.C/N=C/c1ccccn1.CC/N=C/c1ccccn1.CCC(C)C/N=C/c1ccccn1
InChIInChI=1S/C16H16N2.C11H16N2.2C8H10N2.3C7H8N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14;1-3-10(2)8-12-9-11-6-4-5-7-13-11;1-7(9-2)8-5-3-4-6-10-8;1-2-9-7-8-5-3-4-6-10-8;3*1-8-6-7-4-2-3-5-9-7/h3-12H,1-2H3;4-7,9-10H,3,8H2,1-2H3;3-6H,1-2H3;3-7H,2H2,1H3;3*2-6H,1H3/b17-15+,18-16+;12-9+;2*9-7+;3*8-6+
InChIKeyNBKABDHGSVIVKA-YJYFRGOPSA-N
MW1041.41 g/mol
LogP12.20
Rot. Bonds13

About N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine)

N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine) (PubChem CID 159732447) has the molecular formula C64H76N14 and a molecular weight of 1041.41 g/mol. Its IUPAC name is N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine).

Molecular Properties

Compound NameN,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine)
PubChem CID159732447
Molecular FormulaC64H76N14
Molecular Weight1041.41 g/mol
Exact Mass1040.64
IUPAC NameN,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine)
SMILESC/N=C(C(=N/C)/c1ccccc1)\c1ccccc1.C/N=C(\C)c1ccccn1.C/N=C/c1ccccn1.C/N=C/c1ccccn1.C/N=C/c1ccccn1.CC/N=C/c1ccccn1.CCC(C)C/N=C/c1ccccn1
InChIInChI=1S/C16H16N2.C11H16N2.2C8H10N2.3C7H8N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14;1-3-10(2)8-12-9-11-6-4-5-7-13-11;1-7(9-2)8-5-3-4-6-10-8;1-2-9-7-8-5-3-4-6-10-8;3*1-8-6-7-4-2-3-5-9-7/h3-12H,1-2H3;4-7,9-10H,3,8H2,1-2H3;3-6H,1-2H3;3-7H,2H2,1H3;3*2-6H,1H3/b17-15+,18-16+;12-9+;2*9-7+;3*8-6+
InChIKeyNBKABDHGSVIVKA-YJYFRGOPSA-N
XLogP12.20
TPSA176.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.41
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine) with MolForge

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Related Compounds

N-methyl-1-pyridin-2-ylethanimine
CID 12970828
(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride
CID 6442081
(E)-1-phenyl-3-[1-(pyridin-2-ylmethylideneamino)propan-2-ylamino]but-2-en-1-one
CID 177399856
N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine
CID 90268587
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine
CID 156721762
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
2-(1-pyridin-2-ylethylideneamino)benzenethiol
CID 135426936
N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
CID 101461429
(2S)-4-methyl-2-(1-pyridin-2-ylethylideneamino)pentanoic acid
CID 102026365

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine)?
The IUPAC name of N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine) (CID 159732447) is N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine).
What is the SMILES notation for N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine)?
The canonical SMILES for N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine) is C/N=C(C(=N/C)/c1ccccc1)\c1ccccc1.C/N=C(\C)c1ccccn1.C/N=C/c1ccccn1.C/N=C/c1ccccn1.C/N=C/c1ccccn1.CC/N=C/c1ccccn1.CCC(C)C/N=C/c1ccccn1.
What is the InChIKey of N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine)?
The InChIKey is NBKABDHGSVIVKA-YJYFRGOPSA-N. The full InChI is InChI=1S/C16H16N2.C11H16N2.2C8H10N2.3C7H8N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14;1-3-10(2)8-12-9-11-6-4-5-7-13-11;1-7(9-2)8-5-3-4-6-10-8;1-2-9-7-8-5-3-4-6-10-8;3*1-8-6-7-4-2-3-5-9-7/h3-12H,1-2H3;4-7,9-10H,3,8H2,1-2H3;3-6H,1-2H3;3-7H,2H2,1H3;3*2-6H,1H3/b17-15+,18-16+;12-9+;2*9-7+;3*8-6+.
What are the key properties of N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine)?
N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine) has a molecular weight of 1041.41 g/mol, XLogP of 12.20, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1,2-diphenylethane-1,2-diimine;N-ethyl-1-pyridin-2-ylmethanimine;N-(2-methylbutyl)-1-pyridin-2-ylmethanimine;N-methyl-1-pyridin-2-ylethanimine;tris(N-methyl-1-pyridin-2-ylmethanimine) is sourced from PubChem (CID 159732447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).