4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine

C19H24N2O — CID 10732722

IUPAC4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-21(2)15-9-10-16-22-20-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14H,9-10,15-16H2,1-2H3
InChIKeyBMIYIQUNSNHPNW-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.80
Rot. Bonds8

About 4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine

4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine (PubChem CID 10732722) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine
PubChem CID10732722
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-21(2)15-9-10-16-22-20-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14H,9-10,15-16H2,1-2H3
InChIKeyBMIYIQUNSNHPNW-UHFFFAOYSA-N
XLogP3.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Noxiptiline
CID 21087
Ammonium, ((diphenylethanediylidene)bis(nitrilooxytrimethylene))bis(trimethyl-, diiodide
CID 9570268
Ammonium, ((diphenylethanediylidene)bis(nitrilooxyethylene))bis(trimethyl-, diiodide
CID 9570300
2-(benzhydrylideneamino)oxy-N-methylethanamine
CID 87200783
Ammonium, (2-((5H-dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)ethyl)trimethyl-, iodide
CID 212569
Ammonium, (2-((5H-dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)-1-methylethyl)ethyldimethyl-, iodide
CID 212571
Ammonium, (2-((5H-dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)-1-methylethyl)trimethyl-, iodide
CID 212573
Ammonium, (3-((5H-dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)propyl)trimethyl-, iodide
CID 212988
Methanone, phenyl(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, O-(3-(dimethylamino)propyl)oxime, hydrochloride, hydrate (2:2:1)
CID 9554228
3-(benzhydrylideneamino)-N,N-dimethylpropan-1-amine
CID 44342781
5H-Dibenzo(a,d)cyclohepten-5-one, 10,11-dihydro-, O-(2-(dimethylamino)ethyl)oxime, hydrochloride (1:1)
CID 12598205
diphenylmethanone O-(2-methyl-2-propenyl)oxime
CID 299445

Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine (CID 10732722) is 4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine is CN(C)CCCCON=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine?
The InChIKey is BMIYIQUNSNHPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-21(2)15-9-10-16-22-20-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14H,9-10,15-16H2,1-2H3.
What are the key properties of 4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine?
4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine has a molecular weight of 296.41 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 10732722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).