(1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine

C17H22N2 — CID 144956917

IUPAC(1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine
SMILESC=C/C=C\C=C/CC(/C=C(\N)c1ccccc1)NC
InChIInChI=1S/C17H22N2/c1-3-4-5-6-10-13-16(19-2)14-17(18)15-11-8-7-9-12-15/h3-12,14,16,19H,1,13,18H2,2H3/b5-4-,10-6-,17-14-
InChIKeyUUKHCBCXEYXKTK-SELLJPFNSA-N
MW254.38 g/mol
LogP3.26
Rot. Bonds7

About (1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine

(1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine (PubChem CID 144956917) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine.

Molecular Properties

Compound Name(1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine
PubChem CID144956917
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine
SMILESC=C/C=C\C=C/CC(/C=C(\N)c1ccccc1)NC
InChIInChI=1S/C17H22N2/c1-3-4-5-6-10-13-16(19-2)14-17(18)15-11-8-7-9-12-15/h3-12,14,16,19H,1,13,18H2,2H3/b5-4-,10-6-,17-14-
InChIKeyUUKHCBCXEYXKTK-SELLJPFNSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium
CID 89336111
(1Z,3Z,4E,6Z)-3-(chloromethylimino)-1-phenylnona-1,4,6,8-tetraen-1-amine;ethane
CID 145333868
[4-[[3-amino-1-(methylamino)-3-phenylprop-2-enyl]amino]phenyl]methylazanium
CID 165094844
(Z)-1,3-diphenylbut-1-en-1-amine
CID 142293651
1-ethyl-4-[(3Z,5Z)-1-phenylocta-3,5,7-trienylidene]piperidine
CID 142981330
ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene
CID 142113117
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine
CID 178060886
(Z)-4-(4-aminophenyl)-1-N-[(methylideneamino)methyl]but-3-ene-1,2,4-triamine;(3Z)-hexa-1,3,5-triene
CID 143204563
(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine
CID 144815854
1-phenylhexa-1,3,5-trienylbenzene;propanoic acid
CID 158549919
(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol
CID 141148513

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine?
The IUPAC name of (1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine (CID 144956917) is (1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine.
What is the SMILES notation for (1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine?
The canonical SMILES for (1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine is C=C/C=C\C=C/CC(/C=C(\N)c1ccccc1)NC.
What is the InChIKey of (1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine?
The InChIKey is UUKHCBCXEYXKTK-SELLJPFNSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-4-5-6-10-13-16(19-2)14-17(18)15-11-8-7-9-12-15/h3-12,14,16,19H,1,13,18H2,2H3/b5-4-,10-6-,17-14-.
What are the key properties of (1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine?
(1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z,7Z)-3-N-methyl-1-phenyldeca-1,5,7,9-tetraene-1,3-diamine is sourced from PubChem (CID 144956917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).