N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine

C14H22N2 — CID 172928171

IUPACN-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine
SMILESCCc1cccc(/C(C)=N/N(C)C)c1CC
InChIInChI=1S/C14H22N2/c1-6-12-9-8-10-14(13(12)7-2)11(3)15-16(4)5/h8-10H,6-7H2,1-5H3/b15-11+
InChIKeyLBQVPJBMTNNPFP-RVDMUPIBSA-N
MW218.34 g/mol
LogP3.10
Rot. Bonds4

About N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine

N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine (PubChem CID 172928171) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine
PubChem CID172928171
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine
SMILESCCc1cccc(/C(C)=N/N(C)C)c1CC
InChIInChI=1S/C14H22N2/c1-6-12-9-8-10-14(13(12)7-2)11(3)15-16(4)5/h8-10H,6-7H2,1-5H3/b15-11+
InChIKeyLBQVPJBMTNNPFP-RVDMUPIBSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine (CID 172928171) is N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine is CCc1cccc(/C(C)=N/N(C)C)c1CC.
What is the InChIKey of N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine?
The InChIKey is LBQVPJBMTNNPFP-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-12-9-8-10-14(13(12)7-2)11(3)15-16(4)5/h8-10H,6-7H2,1-5H3/b15-11+.
What are the key properties of N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine?
N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 172928171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).