2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine

C17H21NO — CID 79329269

IUPAC2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1c(OC)ccc2ccccc12)CNC
InChIInChI=1S/C17H21NO/c1-4-13(12-18-2)11-16-15-8-6-5-7-14(15)9-10-17(16)19-3/h5-11,18H,4,12H2,1-3H3
InChIKeyDCKORYNKGQUSCG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.86
Rot. Bonds5

About 2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine

2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine (PubChem CID 79329269) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine
PubChem CID79329269
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1c(OC)ccc2ccccc12)CNC
InChIInChI=1S/C17H21NO/c1-4-13(12-18-2)11-16-15-8-6-5-7-14(15)9-10-17(16)19-3/h5-11,18H,4,12H2,1-3H3
InChIKeyDCKORYNKGQUSCG-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(2-methoxynaphthalen-1-yl)methylidene]-3-methylbutan-1-amine
CID 79341734
2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
diethyl (2E)-2-[(2-methoxynaphthalen-1-yl)methylidene]butanedioate
CID 139765807
(Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide
CID 19183485
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
(E)-2-(4-bromophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 2243420
(Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 126377624
(Z)-2-(4-bromophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 2243419
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid
CID 22684789
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylaniline
CID 9014704
(E)-1-(2-methoxynaphthalen-1-yl)-N-trimethylsilylmethanimine
CID 15419490

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine?
The IUPAC name of 2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine (CID 79329269) is 2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine is CCC(=Cc1c(OC)ccc2ccccc12)CNC.
What is the InChIKey of 2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine?
The InChIKey is DCKORYNKGQUSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-13(12-18-2)11-16-15-8-6-5-7-14(15)9-10-17(16)19-3/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine?
2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxynaphthalen-1-yl)methylidene]-N-methylbutan-1-amine is sourced from PubChem (CID 79329269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).