4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine

C19H26N2 — CID 123238943

IUPAC4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(N)C(C)(C)/C(=N/Cc1ccccc1)C1=CCCC=C1
InChIInChI=1S/C19H26N2/c1-15(20)19(2,3)18(17-12-8-5-9-13-17)21-14-16-10-6-4-7-11-16/h4,6-8,10-13,15H,5,9,14,20H2,1-3H3/b21-18+
InChIKeyWKDWKFYBYBYJAW-DYTRJAOYSA-N
MW282.43 g/mol
LogP4.28
Rot. Bonds5

About 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine

4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine (PubChem CID 123238943) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine
PubChem CID123238943
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(N)C(C)(C)/C(=N/Cc1ccccc1)C1=CCCC=C1
InChIInChI=1S/C19H26N2/c1-15(20)19(2,3)18(17-12-8-5-9-13-17)21-14-16-10-6-4-7-11-16/h4,6-8,10-13,15H,5,9,14,20H2,1-3H3/b21-18+
InChIKeyWKDWKFYBYBYJAW-DYTRJAOYSA-N
XLogP4.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine with MolForge

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Related Compounds

N'-benzyl-N,N-dimethylethanimidamide
CID 525276
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404
1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine
CID 142890408
N-benzyl-1-propan-2-yloxypropan-2-imine
CID 167562432
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
2-benzyl-1-butan-2-yl-1-methylguanidine
CID 130159853
N-benzyl-3-methoxy-3-methylbutan-2-imine
CID 163320945
N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine
CID 144947537
N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide
CID 145365910
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952
(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
CID 142348400

Frequently Asked Questions

What is the IUPAC name of 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine?
The IUPAC name of 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine (CID 123238943) is 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine is CC(N)C(C)(C)/C(=N/Cc1ccccc1)C1=CCCC=C1.
What is the InChIKey of 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine?
The InChIKey is WKDWKFYBYBYJAW-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(20)19(2,3)18(17-12-8-5-9-13-17)21-14-16-10-6-4-7-11-16/h4,6-8,10-13,15H,5,9,14,20H2,1-3H3/b21-18+.
What are the key properties of 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine?
4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylimino-4-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 123238943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).