(7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol

C16H21NO — CID 143664987

IUPAC(7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol
SMILESCC(C)CO.[H]/N=C/c1cccc2ccc(C)cc12
InChIInChI=1S/C12H11N.C4H10O/c1-9-5-6-10-3-2-4-11(8-13)12(10)7-9;1-4(2)3-5/h2-8,13H,1H3;4-5H,3H2,1-2H3/b13-8+;
InChIKeyNGHFIEYHBYDYGB-FNXZNAJJSA-N
MW243.35 g/mol
LogP3.78
Rot. Bonds2

About (7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol

(7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol (PubChem CID 143664987) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol.

Molecular Properties

Compound Name(7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol
PubChem CID143664987
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol
SMILESCC(C)CO.[H]/N=C/c1cccc2ccc(C)cc12
InChIInChI=1S/C12H11N.C4H10O/c1-9-5-6-10-3-2-4-11(8-13)12(10)7-9;1-4(2)3-5/h2-8,13H,1H3;4-5H,3H2,1-2H3/b13-8+;
InChIKeyNGHFIEYHBYDYGB-FNXZNAJJSA-N
XLogP3.78
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-1-naphthalen-2-ylmethanimine
CID 11116730
2-Naphthylmethanimine
CID 24973920
2-Naphthaldehyde-O-methyloxime
CID 53308536
1-Naphthaldehyde-O-ethyloxime
CID 53308539
2-Naphthaldehyde-O-ethyloxime
CID 53308543
(r)-2-((Anthracen-10-yl)methyleneamino)butan-1-ol
CID 129729405
2-((Pyrene-1-ylmethylene)amino)ethanol
CID 132838961
2-[(Anthracene-9-ylmethylene) amino]-2-methylpropane-1,3-diol
CID 138753462
2-(Anthracen-9-ylmethylideneamino)ethanol
CID 2189537
(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine
CID 14119212
2-[(E)-naphthalen-2-ylmethylideneamino]oxyethanol
CID 21833974
(5,7-Didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine
CID 22159020

Frequently Asked Questions

What is the IUPAC name of (7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol?
The IUPAC name of (7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol (CID 143664987) is (7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol.
What is the SMILES notation for (7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol?
The canonical SMILES for (7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol is CC(C)CO.[H]/N=C/c1cccc2ccc(C)cc12.
What is the InChIKey of (7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol?
The InChIKey is NGHFIEYHBYDYGB-FNXZNAJJSA-N. The full InChI is InChI=1S/C12H11N.C4H10O/c1-9-5-6-10-3-2-4-11(8-13)12(10)7-9;1-4(2)3-5/h2-8,13H,1H3;4-5H,3H2,1-2H3/b13-8+;.
What are the key properties of (7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol?
(7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol is sourced from PubChem (CID 143664987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).