(5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine

C20H36N4 — CID 134387765

IUPAC(5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine
SMILES[H]/N=C(CCCNC)/C(=C(/C=N\N=C)C(C)/C=C(/C)CC)C(C)(C)C
InChIInChI=1S/C20H36N4/c1-9-15(2)13-16(3)17(14-24-23-8)19(20(4,5)6)18(21)11-10-12-22-7/h13-14,16,21-22H,8-12H2,1-7H3/b15-13-,19-17+,21-18+,24-14-
InChIKeyZOOOQDSLAWRCBL-YBVIUFNCSA-N
MW332.54 g/mol
LogP5.03
Rot. Bonds10

About (5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine

(5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine (PubChem CID 134387765) has the molecular formula C20H36N4 and a molecular weight of 332.54 g/mol. Its IUPAC name is (5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine.

Molecular Properties

Compound Name(5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine
PubChem CID134387765
Molecular FormulaC20H36N4
Molecular Weight332.54 g/mol
Exact Mass332.29
IUPAC Name(5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine
SMILES[H]/N=C(CCCNC)/C(=C(/C=N\N=C)C(C)/C=C(/C)CC)C(C)(C)C
InChIInChI=1S/C20H36N4/c1-9-15(2)13-16(3)17(14-24-23-8)19(20(4,5)6)18(21)11-10-12-22-7/h13-14,16,21-22H,8-12H2,1-7H3/b15-13-,19-17+,21-18+,24-14-
InChIKeyZOOOQDSLAWRCBL-YBVIUFNCSA-N
XLogP5.03
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.54
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine?
The IUPAC name of (5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine (CID 134387765) is (5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine.
What is the SMILES notation for (5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine?
The canonical SMILES for (5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine is [H]/N=C(CCCNC)/C(=C(/C=N\N=C)C(C)/C=C(/C)CC)C(C)(C)C.
What is the InChIKey of (5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine?
The InChIKey is ZOOOQDSLAWRCBL-YBVIUFNCSA-N. The full InChI is InChI=1S/C20H36N4/c1-9-15(2)13-16(3)17(14-24-23-8)19(20(4,5)6)18(21)11-10-12-22-7/h13-14,16,21-22H,8-12H2,1-7H3/b15-13-,19-17+,21-18+,24-14-.
What are the key properties of (5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine?
(5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine has a molecular weight of 332.54 g/mol, XLogP of 5.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine is sourced from PubChem (CID 134387765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).