N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine

C14H22N2 — CID 172971426

IUPACN-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine
SMILESCCc1ccc(/C(C)=N/N(C)C)cc1CC
InChIInChI=1S/C14H22N2/c1-6-12-8-9-14(10-13(12)7-2)11(3)15-16(4)5/h8-10H,6-7H2,1-5H3/b15-11+
InChIKeyRRTUMQUIGBXHAC-RVDMUPIBSA-N
MW218.34 g/mol
LogP3.10
Rot. Bonds4

About N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine

N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine (PubChem CID 172971426) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine
PubChem CID172971426
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine
SMILESCCc1ccc(/C(C)=N/N(C)C)cc1CC
InChIInChI=1S/C14H22N2/c1-6-12-8-9-14(10-13(12)7-2)11(3)15-16(4)5/h8-10H,6-7H2,1-5H3/b15-11+
InChIKeyRRTUMQUIGBXHAC-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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Related Compounds

N-[(E)-1-(5,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine
CID 172941167
4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane
CID 144812540
N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine
CID 172928171
N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine
CID 172922751
(Z)-N-[(Z)-1-(5,8-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine
CID 160652434
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
3-ethyl-4-(iodomethyl)benzoic acid
CID 91883748
4-(3,4-diethylphenyl)pent-4-enal
CID 143272108
1,2-diethyl-4-methylbenzene;methane
CID 174446118
N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline
CID 59476621
(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
CID 115481887

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine (CID 172971426) is N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine is CCc1ccc(/C(C)=N/N(C)C)cc1CC.
What is the InChIKey of N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine?
The InChIKey is RRTUMQUIGBXHAC-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-12-8-9-14(10-13(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-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine?
N-[(E)-1-(3,4-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-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 172971426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).