N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine

C26H34F2N4 — CID 176973224

IUPACN-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(/N=C\c2cc(-c3c(F)ccc(NC)c3F)ccc2C)=C(C)C)CC1
InChIInChI=1S/C26H34F2N4/c1-6-32-13-11-21(12-14-32)31-26(17(2)3)30-16-20-15-19(8-7-18(20)4)24-22(27)9-10-23(29-5)25(24)28/h7-10,15-16,21,29,31H,6,11-14H2,1-5H3/b30-16-
InChIKeyDGRQMSQGAMISOX-UHBFCERESA-N
MW440.58 g/mol
LogP5.73
Rot. Bonds7

About N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine

N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine (PubChem CID 176973224) has the molecular formula C26H34F2N4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine
PubChem CID176973224
Molecular FormulaC26H34F2N4
Molecular Weight440.58 g/mol
Exact Mass440.28
IUPAC NameN-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(/N=C\c2cc(-c3c(F)ccc(NC)c3F)ccc2C)=C(C)C)CC1
InChIInChI=1S/C26H34F2N4/c1-6-32-13-11-21(12-14-32)31-26(17(2)3)30-16-20-15-19(8-7-18(20)4)24-22(27)9-10-23(29-5)25(24)28/h7-10,15-16,21,29,31H,6,11-14H2,1-5H3/b30-16-
InChIKeyDGRQMSQGAMISOX-UHBFCERESA-N
XLogP5.73
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
CID 47456871
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 35528661
N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide
CID 56803513
N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide
CID 82797720
N-[1-(cyanomethyl)piperidin-4-yl]-4-fluoro-3-methylbenzamide
CID 63625209
N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
CID 30768194
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870

Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine (CID 176973224) is N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine is CCN1CCC(NC(/N=C\c2cc(-c3c(F)ccc(NC)c3F)ccc2C)=C(C)C)CC1.
What is the InChIKey of N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine?
The InChIKey is DGRQMSQGAMISOX-UHBFCERESA-N. The full InChI is InChI=1S/C26H34F2N4/c1-6-32-13-11-21(12-14-32)31-26(17(2)3)30-16-20-15-19(8-7-18(20)4)24-22(27)9-10-23(29-5)25(24)28/h7-10,15-16,21,29,31H,6,11-14H2,1-5H3/b30-16-.
What are the key properties of N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine?
N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine has a molecular weight of 440.58 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-[5-[2,6-difluoro-3-(methylamino)phenyl]-2-methylphenyl]methylideneamino]-2-methylprop-1-enyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 176973224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).