N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine

C19H24N4 — CID 102087049

IUPACN-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
SMILESC/C(=N\CC(C)(C)C/N=C(\C)c1ccccn1)c1ccccn1
InChIInChI=1S/C19H24N4/c1-15(17-9-5-7-11-20-17)22-13-19(3,4)14-23-16(2)18-10-6-8-12-21-18/h5-12H,13-14H2,1-4H3/b22-15+,23-16+
InChIKeyKLFMIJGYLRCOJY-QAOSGDJLSA-N
MW308.43 g/mol
LogP3.82
Rot. Bonds6

About N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine

N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine (PubChem CID 102087049) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
PubChem CID102087049
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC NameN-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
SMILESC/C(=N\CC(C)(C)C/N=C(\C)c1ccccn1)c1ccccn1
InChIInChI=1S/C19H24N4/c1-15(17-9-5-7-11-20-17)22-13-19(3,4)14-23-16(2)18-10-6-8-12-21-18/h5-12H,13-14H2,1-4H3/b22-15+,23-16+
InChIKeyKLFMIJGYLRCOJY-QAOSGDJLSA-N
XLogP3.82
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
N-butyl-1-pyridin-2-ylethanimine
CID 583773
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
[(E)-1-pyridin-2-ylethylideneamino]methylthiourea
CID 145130202
dichlorovanadium;3-(1-pyridin-2-ylethylideneamino)propan-1-ol
CID 59378654
3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine
CID 139178723
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide
CID 100962340
[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
CID 173340240
1-pyridin-2-yl-N-[(1R,2R)-2-(1-pyridin-2-ylethylideneamino)cyclohexyl]ethanimine
CID 46193464
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine?
The IUPAC name of N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine (CID 102087049) is N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine.
What is the SMILES notation for N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine?
The canonical SMILES for N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine is C/C(=N\CC(C)(C)C/N=C(\C)c1ccccn1)c1ccccn1.
What is the InChIKey of N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine?
The InChIKey is KLFMIJGYLRCOJY-QAOSGDJLSA-N. The full InChI is InChI=1S/C19H24N4/c1-15(17-9-5-7-11-20-17)22-13-19(3,4)14-23-16(2)18-10-6-8-12-21-18/h5-12H,13-14H2,1-4H3/b22-15+,23-16+.
What are the key properties of N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine?
N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine has a molecular weight of 308.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine is sourced from PubChem (CID 102087049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).