but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium

C8H17N2+ — CID 123840682

IUPACbut-1-en-2-yl-dimethyl-(methyliminomethyl)azanium
SMILESC=C(CC)[N+](C)(C)/C=N/C
InChIInChI=1S/C8H17N2/c1-6-8(2)10(4,5)7-9-3/h7H,2,6H2,1,3-5H3/q+1/b9-7+
InChIKeyVKZMQYBMTDTMEF-VQHVLOKHSA-N
MW141.24 g/mol
LogP1.64
Rot. Bonds3

About but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium

but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium (PubChem CID 123840682) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium.

Molecular Properties

Compound Namebut-1-en-2-yl-dimethyl-(methyliminomethyl)azanium
PubChem CID123840682
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Namebut-1-en-2-yl-dimethyl-(methyliminomethyl)azanium
SMILESC=C(CC)[N+](C)(C)/C=N/C
InChIInChI=1S/C8H17N2/c1-6-8(2)10(4,5)7-9-3/h7H,2,6H2,1,3-5H3/q+1/b9-7+
InChIKeyVKZMQYBMTDTMEF-VQHVLOKHSA-N
XLogP1.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide
CID 57036492
1-Methyl-6-methylidene-4,5-dihydropyrimidine
CID 91610482
N'-but-1-en-2-yl-N,N-dimethylmethanimidamide
CID 123563027
N,N'-dimethyl-N-prop-1-en-2-ylmethanimidamide
CID 129273605
N'-(2,2-dimethylpropyl)-N-methyl-N-prop-1-en-2-ylmethanimidamide
CID 132077455
N,N-dimethylbut-1-en-2-amine;ethane;N-methylmethanimine
CID 141832623
ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
CID 142224396
N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 143378955
ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine
CID 143547335
ethane;N'-methyl-N-prop-1-en-2-yl-N-propylmethanimidamide
CID 144135291
N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide
CID 145257839
N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide
CID 146389581

Frequently Asked Questions

What is the IUPAC name of but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium?
The IUPAC name of but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium (CID 123840682) is but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium.
What is the SMILES notation for but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium?
The canonical SMILES for but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium is C=C(CC)[N+](C)(C)/C=N/C.
What is the InChIKey of but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium?
The InChIKey is VKZMQYBMTDTMEF-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17N2/c1-6-8(2)10(4,5)7-9-3/h7H,2,6H2,1,3-5H3/q+1/b9-7+.
What are the key properties of but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium?
but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium has a molecular weight of 141.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-yl-dimethyl-(methyliminomethyl)azanium is sourced from PubChem (CID 123840682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).