N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine

C22H26N2 — CID 113232516

IUPACN'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine
SMILESCCNC(CN(C)Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H26N2/c1-3-23-22(17-24(2)16-18-10-5-4-6-11-18)21-15-9-13-19-12-7-8-14-20(19)21/h4-15,22-23H,3,16-17H2,1-2H3
InChIKeyIWLRPZOPJVQYFF-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.62
Rot. Bonds7

About N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine

N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine (PubChem CID 113232516) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine
PubChem CID113232516
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC NameN'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine
SMILESCCNC(CN(C)Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H26N2/c1-3-23-22(17-24(2)16-18-10-5-4-6-11-18)21-15-9-13-19-12-7-8-14-20(19)21/h4-15,22-23H,3,16-17H2,1-2H3
InChIKeyIWLRPZOPJVQYFF-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62038846
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CID 62715882
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine
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2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 64651937
N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine
CID 64653562
N-ethyl-2-(furan-3-yl)-1-naphthalen-1-ylethanamine
CID 83176025
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
N-ethyl-1-naphthalen-1-yl-2-propylsulfonylethanamine
CID 64644512
2-cyclohexyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 63416140
N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
CID 107762967

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine (CID 113232516) is N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine is CCNC(CN(C)Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine?
The InChIKey is IWLRPZOPJVQYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-3-23-22(17-24(2)16-18-10-5-4-6-11-18)21-15-9-13-19-12-7-8-14-20(19)21/h4-15,22-23H,3,16-17H2,1-2H3.
What are the key properties of N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine?
N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine has a molecular weight of 318.46 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-ethyl-N'-methyl-1-naphthalen-1-ylethane-1,2-diamine is sourced from PubChem (CID 113232516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).