(3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine

C26H26N2 — CID 166955496

IUPAC(3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine
SMILESC=C/C=C(\CC)N(N=C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2/c1-4-15-25(5-2)28(27-3)26(22-16-9-6-10-17-22,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h4,6-21H,1,3,5H2,2H3/b25-15+
InChIKeyAPMHNHPZYGTEQJ-MFKUBSTISA-N
MW366.51 g/mol
LogP6.38
Rot. Bonds8

About (3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine

(3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine (PubChem CID 166955496) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine
PubChem CID166955496
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name(3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine
SMILESC=C/C=C(\CC)N(N=C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2/c1-4-15-25(5-2)28(27-3)26(22-16-9-6-10-17-22,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h4,6-21H,1,3,5H2,2H3/b25-15+
InChIKeyAPMHNHPZYGTEQJ-MFKUBSTISA-N
XLogP6.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene
CID 163524886
[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene
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2-methyl-3-phenylpent-1-en-3-ol
CID 79189457
hexa-3,5-dien-3-yl(diphenyl)phosphane
CID 123633252
(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol
CID 142021955
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
3-ethyl-N,N-dimethyl-3-phenylpent-4-en-1-amine
CID 132503899
ethane;ethylbenzene;(3Z)-3-ethylhexa-1,3,5-triene
CID 171543969
5-methylidene-3-phenylhept-6-en-3-ol
CID 90476881
4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline
CID 142315139
N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
CID 142314562

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine?
The IUPAC name of (3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine (CID 166955496) is (3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine.
What is the SMILES notation for (3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine?
The canonical SMILES for (3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine is C=C/C=C(\CC)N(N=C)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine?
The InChIKey is APMHNHPZYGTEQJ-MFKUBSTISA-N. The full InChI is InChI=1S/C26H26N2/c1-4-15-25(5-2)28(27-3)26(22-16-9-6-10-17-22,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h4,6-21H,1,3,5H2,2H3/b25-15+.
What are the key properties of (3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine?
(3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine has a molecular weight of 366.51 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine is sourced from PubChem (CID 166955496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).