N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride

C21H29ClN2O — CID 6510149

IUPACN-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
SMILESCC(C)N(CCO/N=C1/CCc2c1ccc1ccccc21)C(C)C.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-15(2)23(16(3)4)13-14-24-22-21-12-11-19-18-8-6-5-7-17(18)9-10-20(19)21;/h5-10,15-16H,11-14H2,1-4H3;1H/b22-21-;
InChIKeyRXORLHLSZZLIJR-SVXKRPBISA-N
MW360.93 g/mol
LogP5.05
Rot. Bonds6

About N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride

N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride (PubChem CID 6510149) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
PubChem CID6510149
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC NameN-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
SMILESCC(C)N(CCO/N=C1/CCc2c1ccc1ccccc21)C(C)C.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-15(2)23(16(3)4)13-14-24-22-21-12-11-19-18-8-6-5-7-17(18)9-10-20(19)21;/h5-10,15-16H,11-14H2,1-4H3;1H/b22-21-;
InChIKeyRXORLHLSZZLIJR-SVXKRPBISA-N
XLogP5.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.93
LogP ≤ 55.05
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride?
The IUPAC name of N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride (CID 6510149) is N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride is CC(C)N(CCO/N=C1/CCc2c1ccc1ccccc21)C(C)C.Cl.
What is the InChIKey of N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride?
The InChIKey is RXORLHLSZZLIJR-SVXKRPBISA-N. The full InChI is InChI=1S/C21H28N2O.ClH/c1-15(2)23(16(3)4)13-14-24-22-21-12-11-19-18-8-6-5-7-17(18)9-10-20(19)21;/h5-10,15-16H,11-14H2,1-4H3;1H/b22-21-;.
What are the key properties of N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride?
N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride is sourced from PubChem (CID 6510149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).