[(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate

C23H32N2O2 — CID 10872302

IUPAC[(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate
SMILESCCCN(CCC)C1CCC2=C(CCC/C2=N\OC(=O)c2ccccc2)C1
InChIInChI=1S/C23H32N2O2/c1-3-15-25(16-4-2)20-13-14-21-19(17-20)11-8-12-22(21)24-27-23(26)18-9-6-5-7-10-18/h5-7,9-10,20H,3-4,8,11-17H2,1-2H3/b24-22+
InChIKeyDFHJGWUDXWMIOD-ZNTNEXAZSA-N
MW368.52 g/mol
LogP5.35
Rot. Bonds7

About [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate

[(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate (PubChem CID 10872302) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate.

Molecular Properties

Compound Name[(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate
PubChem CID10872302
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name[(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate
SMILESCCCN(CCC)C1CCC2=C(CCC/C2=N\OC(=O)c2ccccc2)C1
InChIInChI=1S/C23H32N2O2/c1-3-15-25(16-4-2)20-13-14-21-19(17-20)11-8-12-22(21)24-27-23(26)18-9-6-5-7-10-18/h5-7,9-10,20H,3-4,8,11-17H2,1-2H3/b24-22+
InChIKeyDFHJGWUDXWMIOD-ZNTNEXAZSA-N
XLogP5.35
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate with MolForge

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Related Compounds

(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 10948221
N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 86206502
5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 85398429
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
(Z)-but-2-enedioic acid;6-[butyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 70114751
but-2-enedioic acid;5-(dimethylhydrazinylidene)-N,N-diethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 70095007
6-[propyl(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 10947071
methyl 6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 13393056
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] benzoate
CID 118668198
(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 15703621
2-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 94199166

Frequently Asked Questions

What is the IUPAC name of [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate?
The IUPAC name of [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate (CID 10872302) is [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate.
What is the SMILES notation for [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate?
The canonical SMILES for [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate is CCCN(CCC)C1CCC2=C(CCC/C2=N\OC(=O)c2ccccc2)C1.
What is the InChIKey of [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate?
The InChIKey is DFHJGWUDXWMIOD-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-15-25(16-4-2)20-13-14-21-19(17-20)11-8-12-22(21)24-27-23(26)18-9-6-5-7-10-18/h5-7,9-10,20H,3-4,8,11-17H2,1-2H3/b24-22+.
What are the key properties of [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate?
[(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate has a molecular weight of 368.52 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate is sourced from PubChem (CID 10872302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).