N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine

C18H18N2 — CID 142949785

IUPACN-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine
SMILESC=C/C=C(\C=C)N(c1ccccc1)c1ccc(C)nc1
InChIInChI=1S/C18H18N2/c1-4-9-16(5-2)20(17-10-7-6-8-11-17)18-13-12-15(3)19-14-18/h4-14H,1-2H2,3H3/b16-9+
InChIKeySTORNVLYWHANAD-CXUHLZMHSA-N
MW262.36 g/mol
LogP4.78
Rot. Bonds5

About N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine

N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine (PubChem CID 142949785) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine
PubChem CID142949785
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine
SMILESC=C/C=C(\C=C)N(c1ccccc1)c1ccc(C)nc1
InChIInChI=1S/C18H18N2/c1-4-9-16(5-2)20(17-10-7-6-8-11-17)18-13-12-15(3)19-14-18/h4-14H,1-2H2,3H3/b16-9+
InChIKeySTORNVLYWHANAD-CXUHLZMHSA-N
XLogP4.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 166937509
4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]-N,N-diphenylaniline
CID 144794332
4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)benzaldehyde
CID 143629119
4-(4-bromophenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline
CID 145273368
N-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(2E)-penta-2,4-dien-2-yl]-4-[(2E,4E)-5-(N-phenylanilino)hepta-2,4,6-trien-2-yl]aniline
CID 130421401
1-N,4-N-bis(3-ethenoxyphenyl)-1-N,4-N-bis[(3E)-hexa-1,3,5-trien-3-yl]benzene-1,4-diamine
CID 144980538
5-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]thiophene-2-carbaldehyde;methanethiol
CID 145446536
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-methyl-N-phenylaniline
CID 143789857
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylaniline
CID 144531022
4-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-N-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anilino)phenyl]-1-N-[4-(N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 154968336
ethane;N-[3-[4-[4-[[(3E)-hexa-1,3,5-trien-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 145407631
1-N-[4-(N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]anilino)phenyl]-4-N-(3-methylphenyl)-1-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 139317859

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine?
The IUPAC name of N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine (CID 142949785) is N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine.
What is the SMILES notation for N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine?
The canonical SMILES for N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine is C=C/C=C(\C=C)N(c1ccccc1)c1ccc(C)nc1.
What is the InChIKey of N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine?
The InChIKey is STORNVLYWHANAD-CXUHLZMHSA-N. The full InChI is InChI=1S/C18H18N2/c1-4-9-16(5-2)20(17-10-7-6-8-11-17)18-13-12-15(3)19-14-18/h4-14H,1-2H2,3H3/b16-9+.
What are the key properties of N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine?
N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine has a molecular weight of 262.36 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-N-phenylpyridin-3-amine is sourced from PubChem (CID 142949785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).