(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine

C23H34N2O — CID 10948221

IUPAC(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
SMILESCCCN(CCC)C1CCC2=C(CCC/C2=N\OCc2ccccc2)C1
InChIInChI=1S/C23H34N2O/c1-3-15-25(16-4-2)21-13-14-22-20(17-21)11-8-12-23(22)24-26-18-19-9-6-5-7-10-19/h5-7,9-10,21H,3-4,8,11-18H2,1-2H3/b24-23+
InChIKeyFFMNBPGWAAZQPB-WCWDXBQESA-N
MW354.54 g/mol
LogP5.71
Rot. Bonds8

About (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine

(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine (PubChem CID 10948221) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
PubChem CID10948221
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
SMILESCCCN(CCC)C1CCC2=C(CCC/C2=N\OCc2ccccc2)C1
InChIInChI=1S/C23H34N2O/c1-3-15-25(16-4-2)21-13-14-22-20(17-21)11-8-12-23(22)24-26-18-19-9-6-5-7-10-19/h5-7,9-10,21H,3-4,8,11-18H2,1-2H3/b24-23+
InChIKeyFFMNBPGWAAZQPB-WCWDXBQESA-N
XLogP5.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 85398429
[(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate
CID 10872302
N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 86206502
5-hydrazinylidene-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 149158732
(NE)-N-[6-(dibutylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 21258574
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
6-[propyl(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 10947071
(2Z)-2-phenylmethoxyiminocyclohexan-1-one
CID 88531753
2-phenylmethoxyiminocyclohexan-1-one
CID 123257370
(Z)-but-2-enedioic acid;6-[butyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 70114751
methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 13393056
but-2-enedioic acid;5-(dimethylhydrazinylidene)-N,N-diethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 70095007

Frequently Asked Questions

What is the IUPAC name of (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
The IUPAC name of (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine (CID 10948221) is (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine.
What is the SMILES notation for (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
The canonical SMILES for (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine is CCCN(CCC)C1CCC2=C(CCC/C2=N\OCc2ccccc2)C1.
What is the InChIKey of (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
The InChIKey is FFMNBPGWAAZQPB-WCWDXBQESA-N. The full InChI is InChI=1S/C23H34N2O/c1-3-15-25(16-4-2)21-13-14-22-20(17-21)11-8-12-23(22)24-26-18-19-9-6-5-7-10-19/h5-7,9-10,21H,3-4,8,11-18H2,1-2H3/b24-23+.
What are the key properties of (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine has a molecular weight of 354.54 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine is sourced from PubChem (CID 10948221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).