N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine

C18H18N4 — CID 23471426

IUPACN-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine
SMILESCN/N=C/c1c2ccccc2c(/C=N/NC)c2ccccc12
InChIInChI=1S/C18H18N4/c1-19-21-11-17-13-7-3-5-9-15(13)18(12-22-20-2)16-10-6-4-8-14(16)17/h3-12,19-20H,1-2H3/b21-11+,22-12+
InChIKeyKSBFVYDINJCXSZ-XHQRYOPUSA-N
MW290.37 g/mol
LogP3.10
Rot. Bonds4

About N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine

N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine (PubChem CID 23471426) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine
PubChem CID23471426
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC NameN-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine
SMILESCN/N=C/c1c2ccccc2c(/C=N/NC)c2ccccc12
InChIInChI=1S/C18H18N4/c1-19-21-11-17-13-7-3-5-9-15(13)18(12-22-20-2)16-10-6-4-8-14(16)17/h3-12,19-20H,1-2H3/b21-11+,22-12+
InChIKeyKSBFVYDINJCXSZ-XHQRYOPUSA-N
XLogP3.10
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-Anthracenecarbaldehyde thiosemicarbazone
CID 5390233
9-Diazomethylanthracene
CID 3035201
(E)-2-(Pyren-1-ylmethylene)hydrazine-1-carbothioamide (2)
CID 126842657
2-(Phenanthren-9-ylmethylideneamino)guanidine;hydrochloride
CID 44531578
2-(Phenanthren-3-ylmethylideneamino)guanidine;hydrochloride
CID 44531837
2-(Phenanthren-2-ylmethylideneamino)guanidine;hydrochloride
CID 44531853
N-((1E)-2-(9-anthryl)-1-azavinyl)carbamoylcarboxamide
CID 9612763
[((1E)-2-(9-anthryl)-1-azavinyl)amino]aminomethane-1-thione
CID 5365423
1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea
CID 10108445
2-(2-Naphthalenylmethylene)Hydrazinecarboximidamide
CID 9573375
1-Naphthalenecarboxaldehyde, 2-(1-naphthalenylmethylene)hydrazone
CID 6861471
[(E)-[2-(pyren-1-yl)ethylidene]amino]thiourea (3m)
CID 91937887

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine?
The IUPAC name of N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine (CID 23471426) is N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine?
The canonical SMILES for N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine is CN/N=C/c1c2ccccc2c(/C=N/NC)c2ccccc12.
What is the InChIKey of N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine?
The InChIKey is KSBFVYDINJCXSZ-XHQRYOPUSA-N. The full InChI is InChI=1S/C18H18N4/c1-19-21-11-17-13-7-3-5-9-15(13)18(12-22-20-2)16-10-6-4-8-14(16)17/h3-12,19-20H,1-2H3/b21-11+,22-12+.
What are the key properties of N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine?
N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine has a molecular weight of 290.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine is sourced from PubChem (CID 23471426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).