4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine

C19H29N5 — CID 126701293

IUPAC4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine
SMILESC=N/C(N)=c1/nc(CCCC)n(CCCCN)/c1=C1\C=CC=CC1
InChIInChI=1S/C19H29N5/c1-3-4-12-16-23-17(19(21)22-2)18(15-10-6-5-7-11-15)24(16)14-9-8-13-20/h5-7,10H,2-4,8-9,11-14,20-21H2,1H3/b18-15+,19-17+
InChIKeyAGOKDXURXNKJAH-RZBFYTONSA-N
MW327.48 g/mol
LogP1.36
Rot. Bonds8

About 4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine

4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine (PubChem CID 126701293) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine
PubChem CID126701293
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine
SMILESC=N/C(N)=c1/nc(CCCC)n(CCCCN)/c1=C1\C=CC=CC1
InChIInChI=1S/C19H29N5/c1-3-4-12-16-23-17(19(21)22-2)18(15-10-6-5-7-11-15)24(16)14-9-8-13-20/h5-7,10H,2-4,8-9,11-14,20-21H2,1H3/b18-15+,19-17+
InChIKeyAGOKDXURXNKJAH-RZBFYTONSA-N
XLogP1.36
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine?
The IUPAC name of 4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine (CID 126701293) is 4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine is C=N/C(N)=c1/nc(CCCC)n(CCCCN)/c1=C1\C=CC=CC1.
What is the InChIKey of 4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine?
The InChIKey is AGOKDXURXNKJAH-RZBFYTONSA-N. The full InChI is InChI=1S/C19H29N5/c1-3-4-12-16-23-17(19(21)22-2)18(15-10-6-5-7-11-15)24(16)14-9-8-13-20/h5-7,10H,2-4,8-9,11-14,20-21H2,1H3/b18-15+,19-17+.
What are the key properties of 4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine?
4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine has a molecular weight of 327.48 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine is sourced from PubChem (CID 126701293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).