[(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine

C15H23N5 — CID 145382377

IUPAC[(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine
SMILESC=N/C(C)=C1C(=N/CN)\NC(/C=C\C)=C(C)C(=C)N\1C
InChIInChI=1S/C15H23N5/c1-7-8-13-10(2)12(4)20(6)14(11(3)17-5)15(19-13)18-9-16/h7-8H,4-5,9,16H2,1-3,6H3,(H,18,19)/b8-7-,14-11+
InChIKeyFLAJHVPALYIHDQ-LMEHAKNHSA-N
MW273.38 g/mol
LogP2.13
Rot. Bonds3

About [(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine

[(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine (PubChem CID 145382377) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is [(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine.

Molecular Properties

Compound Name[(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine
PubChem CID145382377
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name[(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine
SMILESC=N/C(C)=C1C(=N/CN)\NC(/C=C\C)=C(C)C(=C)N\1C
InChIInChI=1S/C15H23N5/c1-7-8-13-10(2)12(4)20(6)14(11(3)17-5)15(19-13)18-9-16/h7-8H,4-5,9,16H2,1-3,6H3,(H,18,19)/b8-7-,14-11+
InChIKeyFLAJHVPALYIHDQ-LMEHAKNHSA-N
XLogP2.13
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(aminomethylideneamino)-N-ethanimidoyl-N,3-dimethylpenta-2,4-dienimidamide
CID 132127317
ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine
CID 142874757
(1Z,3E)-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylpenta-1,3-dien-1-amine
CID 143241275
ethane;2-ethenyl-N',3-dimethyl-N-prop-1-en-2-ylbut-2-enimidamide
CID 144276232
6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine
CID 145256104
[(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine;ethane
CID 145382376
N-methyl-2-[[(3E)-1-methyl-3-[(E)-2-methylbut-2-enylidene]-6-methylidenepyrazin-2-ylidene]amino]ethanamine
CID 169586584
(2E,4Z)-N-but-1-en-2-yl-2-methyl-N'-[(3Z)-4-(methylamino)penta-1,3-dien-2-yl]hexa-2,4-dienimidamide
CID 144223146
2-ethenyl-N',3-dimethyl-N-prop-1-en-2-ylbut-2-enimidamide
CID 144276233
(2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 145004988

Frequently Asked Questions

What is the IUPAC name of [(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine?
The IUPAC name of [(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine (CID 145382377) is [(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine.
What is the SMILES notation for [(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine?
The canonical SMILES for [(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine is C=N/C(C)=C1C(=N/CN)\NC(/C=C\C)=C(C)C(=C)N\1C.
What is the InChIKey of [(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine?
The InChIKey is FLAJHVPALYIHDQ-LMEHAKNHSA-N. The full InChI is InChI=1S/C15H23N5/c1-7-8-13-10(2)12(4)20(6)14(11(3)17-5)15(19-13)18-9-16/h7-8H,4-5,9,16H2,1-3,6H3,(H,18,19)/b8-7-,14-11+.
What are the key properties of [(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine?
[(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine is sourced from PubChem (CID 145382377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).