[(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium

C15H34N3+ — CID 54374730

IUPAC[(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium
SMILESCC[N+](CC)=C(NC(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C15H33N3/c1-10-17(11-2)14(16-15(7,8)9)18(12(3)4)13(5)6/h12-13H,10-11H2,1-9H3/p+1
InChIKeyLLIUKALPFDYEDZ-UHFFFAOYSA-O
MW256.46 g/mol
LogP2.90
Rot. Bonds4

About [(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium

[(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium (PubChem CID 54374730) has the molecular formula C15H34N3+ and a molecular weight of 256.46 g/mol. Its IUPAC name is [(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium.

Molecular Properties

Compound Name[(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium
PubChem CID54374730
Molecular FormulaC15H34N3+
Molecular Weight256.46 g/mol
Exact Mass256.27
IUPAC Name[(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium
SMILESCC[N+](CC)=C(NC(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C15H33N3/c1-10-17(11-2)14(16-15(7,8)9)18(12(3)4)13(5)6/h12-13H,10-11H2,1-9H3/p+1
InChIKeyLLIUKALPFDYEDZ-UHFFFAOYSA-O
XLogP2.90
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-1-ethyl-1-propan-2-ylurea
CID 115585495
N-tert-butyl-2-(ethylsulfonylamino)propanamide
CID 47400721
3-tert-butyl-1,1-bis(2-methylpropyl)thiourea
CID 127513083
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-methylpentanamide
CID 78790706
1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea
CID 103752966
N-(2-methylpentan-2-yl)-N-propan-2-ylhydroxylamine
CID 142951346
3-tert-butyl-1-[1-(dimethylamino)propan-2-yl]-1-ethylurea
CID 103188292
N-tert-butyl-2-(1-ethylsulfonylpropan-2-ylamino)acetamide
CID 113350703
3-tert-butyl-1-propan-2-yl-1-prop-2-enylurea
CID 115585835
2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
CID 60829080
N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
2-(2,2-dimethylbutylamino)-N-methyl-N-propan-2-ylacetamide
CID 103461330

Frequently Asked Questions

What is the IUPAC name of [(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium?
The IUPAC name of [(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium (CID 54374730) is [(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium.
What is the SMILES notation for [(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium?
The canonical SMILES for [(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium is CC[N+](CC)=C(NC(C)(C)C)N(C(C)C)C(C)C.
What is the InChIKey of [(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium?
The InChIKey is LLIUKALPFDYEDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H33N3/c1-10-17(11-2)14(16-15(7,8)9)18(12(3)4)13(5)6/h12-13H,10-11H2,1-9H3/p+1.
What are the key properties of [(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium?
[(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium has a molecular weight of 256.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(tert-butylamino)-[di(propan-2-yl)amino]methylidene]-diethylazanium is sourced from PubChem (CID 54374730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).