1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol

C19H28N2O — CID 43824878

IUPAC1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
SMILESCC(C)N(CCNCc1c(O)ccc2ccccc12)C(C)C
InChIInChI=1S/C19H28N2O/c1-14(2)21(15(3)4)12-11-20-13-18-17-8-6-5-7-16(17)9-10-19(18)22/h5-10,14-15,20,22H,11-13H2,1-4H3
InChIKeyNWFFECXHJFKWMB-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.75
Rot. Bonds7

About 1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol

1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol (PubChem CID 43824878) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
PubChem CID43824878
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
SMILESCC(C)N(CCNCc1c(O)ccc2ccccc12)C(C)C
InChIInChI=1S/C19H28N2O/c1-14(2)21(15(3)4)12-11-20-13-18-17-8-6-5-7-16(17)9-10-19(18)22/h5-10,14-15,20,22H,11-13H2,1-4H3
InChIKeyNWFFECXHJFKWMB-UHFFFAOYSA-N
XLogP3.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol (CID 43824878) is 1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol is CC(C)N(CCNCc1c(O)ccc2ccccc12)C(C)C.
What is the InChIKey of 1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol?
The InChIKey is NWFFECXHJFKWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14(2)21(15(3)4)12-11-20-13-18-17-8-6-5-7-16(17)9-10-19(18)22/h5-10,14-15,20,22H,11-13H2,1-4H3.
What are the key properties of 1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol?
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol has a molecular weight of 300.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 43824878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).