2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine

C35H47N3 — CID 59434234

IUPAC2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)C(Cc1ccccn1)/C(C)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C35H47N3/c1-22(2)29-16-13-17-30(23(3)4)34(29)37-26(9)33(21-28-15-11-12-20-36-28)27(10)38-35-31(24(5)6)18-14-19-32(35)25(7)8/h11-20,22-25,33H,21H2,1-10H3/b37-26+,38-27+
InChIKeyMWXHNGJPBVDMAR-YFLNSSJQSA-N
MW509.78 g/mol
LogP10.32
Rot. Bonds10

About 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine

2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine (PubChem CID 59434234) has the molecular formula C35H47N3 and a molecular weight of 509.78 g/mol. Its IUPAC name is 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine.

Molecular Properties

Compound Name2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine
PubChem CID59434234
Molecular FormulaC35H47N3
Molecular Weight509.78 g/mol
Exact Mass509.38
IUPAC Name2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)C(Cc1ccccn1)/C(C)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C35H47N3/c1-22(2)29-16-13-17-30(23(3)4)34(29)37-26(9)33(21-28-15-11-12-20-36-28)27(10)38-35-31(24(5)6)18-14-19-32(35)25(7)8/h11-20,22-25,33H,21H2,1-10H3/b37-26+,38-27+
InChIKeyMWXHNGJPBVDMAR-YFLNSSJQSA-N
XLogP10.32
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.78
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 158633874
N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine
CID 58238596
2-N-(3,5-dimethylphenyl)-4-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine
CID 89276571
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493
ethane;3-methyl-4-pyridin-2-ylbutan-2-one
CID 177154285
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
3-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954
3-[2,6-di(propan-2-yl)phenyl]imino-2-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1-phenylbutan-1-one
CID 139257943
[2-[2,6-di(propan-2-yl)phenyl]imino-2-pyridin-2-ylethyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 177420335
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine?
The IUPAC name of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine (CID 59434234) is 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine.
What is the SMILES notation for 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine?
The canonical SMILES for 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine is C/C(=N\c1c(C(C)C)cccc1C(C)C)C(Cc1ccccn1)/C(C)=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine?
The InChIKey is MWXHNGJPBVDMAR-YFLNSSJQSA-N. The full InChI is InChI=1S/C35H47N3/c1-22(2)29-16-13-17-30(23(3)4)34(29)37-26(9)33(21-28-15-11-12-20-36-28)27(10)38-35-31(24(5)6)18-14-19-32(35)25(7)8/h11-20,22-25,33H,21H2,1-10H3/b37-26+,38-27+.
What are the key properties of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine?
2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine has a molecular weight of 509.78 g/mol, XLogP of 10.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine is sourced from PubChem (CID 59434234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).