N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine

C18H24N2 — CID 172922751

IUPACN-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine
SMILESCCc1cc2cccc(CC)c2cc1/C(C)=N/N(C)C
InChIInChI=1S/C18H24N2/c1-6-14-9-8-10-16-11-15(7-2)17(12-18(14)16)13(3)19-20(4)5/h8-12H,6-7H2,1-5H3/b19-13+
InChIKeyFKVORWDGKQLCTG-CPNJWEJPSA-N
MW268.40 g/mol
LogP4.25
Rot. Bonds4

About N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine

N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine (PubChem CID 172922751) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine
PubChem CID172922751
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine
SMILESCCc1cc2cccc(CC)c2cc1/C(C)=N/N(C)C
InChIInChI=1S/C18H24N2/c1-6-14-9-8-10-16-11-15(7-2)17(12-18(14)16)13(3)19-20(4)5/h8-12H,6-7H2,1-5H3/b19-13+
InChIKeyFKVORWDGKQLCTG-CPNJWEJPSA-N
XLogP4.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine
CID 172928171
1-ethylanthracene;formic acid
CID 175485335
N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine
CID 172971426
5-ethyl-1,2,3,4-tetrahydroanthracene
CID 141269354
1-ethylnaphthalene;pyrene
CID 174849884
1-ethyl-7-methylnaphthalene
CID 12778771
8-ethylnaphthalene-1-sulfonic acid
CID 101314983
ethane;1-ethyl-7-methylnaphthalene
CID 91014752
1-ethyl-7-fluoronaphthalene
CID 166534047
4-ethylanthracen-9-amine
CID 23131445
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
azane;1-ethylnaphthalene
CID 19048185

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine (CID 172922751) is N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine is CCc1cc2cccc(CC)c2cc1/C(C)=N/N(C)C.
What is the InChIKey of N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine?
The InChIKey is FKVORWDGKQLCTG-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H24N2/c1-6-14-9-8-10-16-11-15(7-2)17(12-18(14)16)13(3)19-20(4)5/h8-12H,6-7H2,1-5H3/b19-13+.
What are the key properties of N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine?
N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine has a molecular weight of 268.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 172922751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).