ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium

C16H28N4+2 — CID 5232713

IUPACethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium
SMILESCCN/C(=[NH+]\CC)c1ccc(/C(NCC)=[NH+]/CC)cc1
InChIInChI=1S/C16H26N4/c1-5-17-15(18-6-2)13-9-11-14(12-10-13)16(19-7-3)20-8-4/h9-12H,5-8H2,1-4H3,(H,17,18)(H,19,20)/p+2
InChIKeyABBXAKQBHFNHIG-UHFFFAOYSA-P
MW276.43 g/mol
LogP-1.40
Rot. Bonds6

About ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium

ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium (PubChem CID 5232713) has the molecular formula C16H28N4+2 and a molecular weight of 276.43 g/mol. Its IUPAC name is ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium.

Molecular Properties

Compound Nameethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium
PubChem CID5232713
Molecular FormulaC16H28N4+2
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Nameethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium
SMILESCCN/C(=[NH+]\CC)c1ccc(/C(NCC)=[NH+]/CC)cc1
InChIInChI=1S/C16H26N4/c1-5-17-15(18-6-2)13-9-11-14(12-10-13)16(19-7-3)20-8-4/h9-12H,5-8H2,1-4H3,(H,17,18)(H,19,20)/p+2
InChIKeyABBXAKQBHFNHIG-UHFFFAOYSA-P
XLogP-1.40
TPSA52.00 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(4-ethylphenyl)ethenamine
CID 89105478
4-(dimethylamino)-N-ethylbenzenecarbothioamide
CID 154190150
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
CID 153373554
CID 153373554
(E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine
CID 168891341
N-ethyl-4-trimethylstannylbenzamide
CID 163615316
N-ethyl-4-prop-2-enylbenzamide
CID 137333139
N-ethylbenzamide
CID 160772566
N-ethyl-1-(4-methanimidoylphenyl)ethenamine
CID 142184056
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine
CID 143048491
N-ethylbenzamide;hydrochloride
CID 57444995

Frequently Asked Questions

What is the IUPAC name of ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium?
The IUPAC name of ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium (CID 5232713) is ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium.
What is the SMILES notation for ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium?
The canonical SMILES for ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium is CCN/C(=[NH+]\CC)c1ccc(/C(NCC)=[NH+]/CC)cc1.
What is the InChIKey of ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium?
The InChIKey is ABBXAKQBHFNHIG-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H26N4/c1-5-17-15(18-6-2)13-9-11-14(12-10-13)16(19-7-3)20-8-4/h9-12H,5-8H2,1-4H3,(H,17,18)(H,19,20)/p+2.
What are the key properties of ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium?
ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium has a molecular weight of 276.43 g/mol, XLogP of -1.40, 6 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium is sourced from PubChem (CID 5232713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).