1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol

C16H20N2O — CID 137266787

IUPAC1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol
SMILESC/C(=N\CCN(C)C)c1c(O)ccc2ccccc12
InChIInChI=1S/C16H20N2O/c1-12(17-10-11-18(2)3)16-14-7-5-4-6-13(14)8-9-15(16)19/h4-9,19H,10-11H2,1-3H3/b17-12+
InChIKeyZLNQLZDMMBLNBZ-SFQUDFHCSA-N
MW256.35 g/mol
LogP2.92
Rot. Bonds4

About 1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol

1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol (PubChem CID 137266787) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol
PubChem CID137266787
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol
SMILESC/C(=N\CCN(C)C)c1c(O)ccc2ccccc12
InChIInChI=1S/C16H20N2O/c1-12(17-10-11-18(2)3)16-14-7-5-4-6-13(14)8-9-15(16)19/h4-9,19H,10-11H2,1-3H3/b17-12+
InChIKeyZLNQLZDMMBLNBZ-SFQUDFHCSA-N
XLogP2.92
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol
CID 135766896
2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
CID 27511302
diethylamino 2-hydroxynaphthalene-1-carboxylate
CID 22369256
2-[3-(dimethylamino)propyl]naphthalen-1-amine
CID 19734899
(NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine
CID 114525509
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]acetamide
CID 135953187
N-(diaminomethylidene)-2-hydroxynaphthalene-1-carboxamide;hydrate;hydrochloride
CID 22447281
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816

Frequently Asked Questions

What is the IUPAC name of 1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol?
The IUPAC name of 1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol (CID 137266787) is 1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol.
What is the SMILES notation for 1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol?
The canonical SMILES for 1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol is C/C(=N\CCN(C)C)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol?
The InChIKey is ZLNQLZDMMBLNBZ-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(17-10-11-18(2)3)16-14-7-5-4-6-13(14)8-9-15(16)19/h4-9,19H,10-11H2,1-3H3/b17-12+.
What are the key properties of 1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol?
1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol has a molecular weight of 256.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol is sourced from PubChem (CID 137266787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).