1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine

C20H20N2 — CID 101400560

IUPAC1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine
SMILESc1cc2c3c(cccc3c1)C(=N\C1CCC1)/C2=N\C1CCC1
InChIInChI=1S/C20H20N2/c1-5-13-6-2-12-17-18(13)16(11-1)19(21-14-7-3-8-14)20(17)22-15-9-4-10-15/h1-2,5-6,11-12,14-15H,3-4,7-10H2/b21-19-,22-20+
InChIKeyQVQFXSJWUDKEOK-OLAQIDGISA-N
MW288.39 g/mol
LogP4.54
Rot. Bonds2

About 1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine

1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine (PubChem CID 101400560) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine
PubChem CID101400560
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine
SMILESc1cc2c3c(cccc3c1)C(=N\C1CCC1)/C2=N\C1CCC1
InChIInChI=1S/C20H20N2/c1-5-13-6-2-12-17-18(13)16(11-1)19(21-14-7-3-8-14)20(17)22-15-9-4-10-15/h1-2,5-6,11-12,14-15H,3-4,7-10H2/b21-19-,22-20+
InChIKeyQVQFXSJWUDKEOK-OLAQIDGISA-N
XLogP4.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

fluoranthene
CID 139203734
3-cyclohexylimino-1H-indol-2-one
CID 135536870
carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel
CID 59475428
1-cyclopentylpyrene
CID 101173318
1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine
CID 20789346
1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine
CID 173468101
(2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene
CID 95564432
spiro[2,4-diaza-3-boranuidatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-9-boranuidabicyclo[3.3.1]nonane]
CID 134880062
tri(dmp-BIAN)Ga
CID 139168373
1-N,2-N-bis(2,6-diethylphenyl)acenaphthylene-1,2-diimine;dibromonickel
CID 18736437
2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde
CID 10422176
2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 61348625

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine?
The IUPAC name of 1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine (CID 101400560) is 1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine?
The canonical SMILES for 1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine is c1cc2c3c(cccc3c1)C(=N\C1CCC1)/C2=N\C1CCC1.
What is the InChIKey of 1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine?
The InChIKey is QVQFXSJWUDKEOK-OLAQIDGISA-N. The full InChI is InChI=1S/C20H20N2/c1-5-13-6-2-12-17-18(13)16(11-1)19(21-14-7-3-8-14)20(17)22-15-9-4-10-15/h1-2,5-6,11-12,14-15H,3-4,7-10H2/b21-19-,22-20+.
What are the key properties of 1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine?
1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine has a molecular weight of 288.39 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-di(cyclobutyl)acenaphthylene-1,2-diimine is sourced from PubChem (CID 101400560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).