1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol

C17H22N2O — CID 116651539

IUPAC1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol
SMILESCN(Cc1c(O)ccc2ccccc12)C(CN)C1CC1
InChIInChI=1S/C17H22N2O/c1-19(16(10-18)13-6-7-13)11-15-14-5-3-2-4-12(14)8-9-17(15)20/h2-5,8-9,13,16,20H,6-7,10-11,18H2,1H3
InChIKeyXVQNVILGDJZWAG-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.71
Rot. Bonds5

About 1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol

1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol (PubChem CID 116651539) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol
PubChem CID116651539
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol
SMILESCN(Cc1c(O)ccc2ccccc12)C(CN)C1CC1
InChIInChI=1S/C17H22N2O/c1-19(16(10-18)13-6-7-13)11-15-14-5-3-2-4-12(14)8-9-17(15)20/h2-5,8-9,13,16,20H,6-7,10-11,18H2,1H3
InChIKeyXVQNVILGDJZWAG-UHFFFAOYSA-N
XLogP2.71
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol (CID 116651539) is 1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol is CN(Cc1c(O)ccc2ccccc12)C(CN)C1CC1.
What is the InChIKey of 1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol?
The InChIKey is XVQNVILGDJZWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(16(10-18)13-6-7-13)11-15-14-5-3-2-4-12(14)8-9-17(15)20/h2-5,8-9,13,16,20H,6-7,10-11,18H2,1H3.
What are the key properties of 1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol?
1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol has a molecular weight of 270.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 116651539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).