2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine

C17H24N2 — CID 116960090

IUPAC2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine
SMILESCCC(CN)C(NC)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C17H24N2/c1-4-13(11-18)17(19-3)16-8-7-14-9-12(2)5-6-15(14)10-16/h5-10,13,17,19H,4,11,18H2,1-3H3
InChIKeyOVTZNINSASAAGD-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.39
Rot. Bonds5

About 2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine

2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine (PubChem CID 116960090) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine
PubChem CID116960090
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine
SMILESCCC(CN)C(NC)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C17H24N2/c1-4-13(11-18)17(19-3)16-8-7-14-9-12(2)5-6-15(14)10-16/h5-10,13,17,19H,4,11,18H2,1-3H3
InChIKeyOVTZNINSASAAGD-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol
CID 116957742
1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 115797109
2-butan-2-yl-9-methylpentacene
CID 20764702
2,6-dimethylnaphthalene;propane
CID 142191183
2-N,2-dimethyl-1-(6-methylnaphthalen-2-yl)propane-1,2-diamine
CID 116938972
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
CID 116937429
1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 43481938
2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine
CID 105045206
[2-ethyl-1-(2-methylquinolin-6-yl)butyl]hydrazine
CID 105327189
1-(6-methylnaphthalen-2-yl)ethanethiol
CID 116866764
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine (CID 116960090) is 2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine is CCC(CN)C(NC)c1ccc2cc(C)ccc2c1.
What is the InChIKey of 2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine?
The InChIKey is OVTZNINSASAAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-13(11-18)17(19-3)16-8-7-14-9-12(2)5-6-15(14)10-16/h5-10,13,17,19H,4,11,18H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine?
2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine has a molecular weight of 256.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine is sourced from PubChem (CID 116960090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).