7-butylimino-9,9-dimethylanthracen-2-amine

C20H24N2 — CID 145144139

IUPAC7-butylimino-9,9-dimethylanthracen-2-amine
SMILESCCCC/N=C1\C=CC2=Cc3ccc(N)cc3C(C)(C)C2=C1
InChIInChI=1S/C20H24N2/c1-4-5-10-22-17-9-7-15-11-14-6-8-16(21)12-18(14)20(2,3)19(15)13-17/h6-9,11-13H,4-5,10,21H2,1-3H3/b22-17+
InChIKeyHZQXYYHFHRDUDL-OQKWZONESA-N
MW292.43 g/mol
LogP4.68
Rot. Bonds3

About 7-butylimino-9,9-dimethylanthracen-2-amine

7-butylimino-9,9-dimethylanthracen-2-amine (PubChem CID 145144139) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 7-butylimino-9,9-dimethylanthracen-2-amine.

Molecular Properties

Compound Name7-butylimino-9,9-dimethylanthracen-2-amine
PubChem CID145144139
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name7-butylimino-9,9-dimethylanthracen-2-amine
SMILESCCCC/N=C1\C=CC2=Cc3ccc(N)cc3C(C)(C)C2=C1
InChIInChI=1S/C20H24N2/c1-4-5-10-22-17-9-7-15-11-14-6-8-16(21)12-18(14)20(2,3)19(15)13-17/h6-9,11-13H,4-5,10,21H2,1-3H3/b22-17+
InChIKeyHZQXYYHFHRDUDL-OQKWZONESA-N
XLogP4.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)formamide;7-butylimino-9,9-dimethylanthracen-2-amine
CID 145144138
(1S,8S,15S)-22-methyl-1,8,15-tripropylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaene-4,11,18-triamine
CID 132851129
(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;2-[2-(6-chlorohexoxy)ethoxy]ethanamine;bis(2,2,2-trifluoroacetate)
CID 157426761
1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine
CID 102196246
6-benzyl-9,9-dimethylfluoren-3-amine
CID 129301138
(2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
CID 125494388
1-N-butyl-2-chlorobenzene-1,4-diamine
CID 20565180
3-hexylimino-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine
CID 141026574
9,9-dimethylfluorene-2,6-diamine
CID 156512652
4-butylimino-5,5-diethylfuran-2-amine
CID 15692040
2-(4-butylphenyl)benzene-1,4-diamine;dihydrochloride
CID 18371792
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655

Frequently Asked Questions

What is the IUPAC name of 7-butylimino-9,9-dimethylanthracen-2-amine?
The IUPAC name of 7-butylimino-9,9-dimethylanthracen-2-amine (CID 145144139) is 7-butylimino-9,9-dimethylanthracen-2-amine.
What is the SMILES notation for 7-butylimino-9,9-dimethylanthracen-2-amine?
The canonical SMILES for 7-butylimino-9,9-dimethylanthracen-2-amine is CCCC/N=C1\C=CC2=Cc3ccc(N)cc3C(C)(C)C2=C1.
What is the InChIKey of 7-butylimino-9,9-dimethylanthracen-2-amine?
The InChIKey is HZQXYYHFHRDUDL-OQKWZONESA-N. The full InChI is InChI=1S/C20H24N2/c1-4-5-10-22-17-9-7-15-11-14-6-8-16(21)12-18(14)20(2,3)19(15)13-17/h6-9,11-13H,4-5,10,21H2,1-3H3/b22-17+.
What are the key properties of 7-butylimino-9,9-dimethylanthracen-2-amine?
7-butylimino-9,9-dimethylanthracen-2-amine has a molecular weight of 292.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butylimino-9,9-dimethylanthracen-2-amine is sourced from PubChem (CID 145144139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).