N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline

C19H27N3 — CID 87503185

IUPACN,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline
SMILESCN(C)c1ccc(N=C=NC2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C19H27N3/c1-18(2)14-10-11-19(18,3)17(12-14)21-13-20-15-6-8-16(9-7-15)22(4)5/h6-9,14,17H,10-12H2,1-5H3
InChIKeyLCYFOOSCQGZRBZ-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.77
Rot. Bonds3

About N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline

N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline (PubChem CID 87503185) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline
PubChem CID87503185
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC NameN,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline
SMILESCN(C)c1ccc(N=C=NC2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C19H27N3/c1-18(2)14-10-11-19(18,3)17(12-14)21-13-20-15-6-8-16(9-7-15)22(4)5/h6-9,14,17H,10-12H2,1-5H3
InChIKeyLCYFOOSCQGZRBZ-UHFFFAOYSA-N
XLogP4.77
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
CID 130854529
2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
CID 137047925
(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine
CID 59880501
1-methyl-1-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]hydrazine
CID 129463430
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
CID 46184297
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
(1S,2S,4R)-1,7,7-trimethyl-2-[4-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenoxy]bicyclo[2.2.1]heptane
CID 6581459
(1S,2S,4S)-1,7,7-trimethyl-2-[4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenoxy]bicyclo[2.2.1]heptane
CID 99978546
1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
CID 14771727

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline?
The IUPAC name of N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline (CID 87503185) is N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline?
The canonical SMILES for N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline is CN(C)c1ccc(N=C=NC2CC3CCC2(C)C3(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline?
The InChIKey is LCYFOOSCQGZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-18(2)14-10-11-19(18,3)17(12-14)21-13-20-15-6-8-16(9-7-15)22(4)5/h6-9,14,17H,10-12H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline?
N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline has a molecular weight of 297.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethylideneamino]aniline is sourced from PubChem (CID 87503185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).