ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium

C9H19N2+ — CID 22250320

IUPACethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium
SMILESCC[N+](=C=NC(C)C)C(C)C
InChIInChI=1S/C9H19N2/c1-6-11(9(4)5)7-10-8(2)3/h8-9H,6H2,1-5H3/q+1
InChIKeyLJLNLUWAWUUJGB-UHFFFAOYSA-N
MW155.26 g/mol
LogP2.01
Rot. Bonds3

About ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium

ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium (PubChem CID 22250320) has the molecular formula C9H19N2+ and a molecular weight of 155.26 g/mol. Its IUPAC name is ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium.

Molecular Properties

Compound Nameethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium
PubChem CID22250320
Molecular FormulaC9H19N2+
Molecular Weight155.26 g/mol
Exact Mass155.15
IUPAC Nameethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium
SMILESCC[N+](=C=NC(C)C)C(C)C
InChIInChI=1S/C9H19N2/c1-6-11(9(4)5)7-10-8(2)3/h8-9H,6H2,1-5H3/q+1
InChIKeyLJLNLUWAWUUJGB-UHFFFAOYSA-N
XLogP2.01
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-(3-diethylaminopropyl)carbodiimide
CID 9964513
N,N,N'-tri(propan-2-yl)methanimidamide
CID 12175794
N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine
CID 15700476
1-Ethyl-3-diisopropylaminocarbodiimide
CID 21186952
1-(2-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride
CID 21931225
N-(3-dimethylamino-isopropyl)-N-ethyl-carbodiimide
CID 57284401
Dimethylamino-propyl ethyl carbodiimide
CID 87275018
1-Ethyl-3-(dimethylaminopropyl)-ethylcarbodiimide hydrochloride
CID 87594622
1-ethyl-3-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride
CID 145739376
1-ethyl-3-(3-dimethylaminopropyl)-N'-ethyl-carbodiimide
CID 145739377
N,N'-Di-sec-butylcarbodiimide
CID 12447458
N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine
CID 20542240

Frequently Asked Questions

What is the IUPAC name of ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium?
The IUPAC name of ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium (CID 22250320) is ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium.
What is the SMILES notation for ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium?
The canonical SMILES for ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium is CC[N+](=C=NC(C)C)C(C)C.
What is the InChIKey of ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium?
The InChIKey is LJLNLUWAWUUJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2/c1-6-11(9(4)5)7-10-8(2)3/h8-9H,6H2,1-5H3/q+1.
What are the key properties of ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium?
ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium has a molecular weight of 155.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium is sourced from PubChem (CID 22250320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).