N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide

C17H22N2O — CID 87736571

IUPACN-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide
SMILESCCN(CC)Cc1ccc2c(CNC=O)cccc2c1
InChIInChI=1S/C17H22N2O/c1-3-19(4-2)12-14-8-9-17-15(10-14)6-5-7-16(17)11-18-13-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyMMZCNQXZJPOEMC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.93
Rot. Bonds7

About N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide

N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide (PubChem CID 87736571) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide
PubChem CID87736571
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide
SMILESCCN(CC)Cc1ccc2c(CNC=O)cccc2c1
InChIInChI=1S/C17H22N2O/c1-3-19(4-2)12-14-8-9-17-15(10-14)6-5-7-16(17)11-18-13-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyMMZCNQXZJPOEMC-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide
CID 91415061
3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide
CID 166336070
N,N-bis(phenanthren-3-ylmethyl)ethanamine;N,N-bis(phenanthren-9-ylmethyl)ethanamine;N-(phenanthren-3-ylmethyl)-N-(phenanthren-9-ylmethyl)ethanamine
CID 159085119
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 8948128
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
CID 17294534
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
ethane;1-ethyl-6-methylnaphthalene
CID 91003856
6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene
CID 158506002
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide
CID 53231447
3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one
CID 119136099
3-[(3-bromophenyl)methyl-[2-(diethylamino)ethyl]amino]propanal
CID 90964944
2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline
CID 83962689

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide?
The IUPAC name of N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide (CID 87736571) is N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide.
What is the SMILES notation for N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide?
The canonical SMILES for N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide is CCN(CC)Cc1ccc2c(CNC=O)cccc2c1.
What is the InChIKey of N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide?
The InChIKey is MMZCNQXZJPOEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19(4-2)12-14-8-9-17-15(10-14)6-5-7-16(17)11-18-13-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide?
N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide has a molecular weight of 270.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide is sourced from PubChem (CID 87736571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).