(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium

C8H17N2+ — CID 166145401

IUPAC(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium
SMILESC=C(N)C(C(C)C)=[N+](C)C
InChIInChI=1S/C8H17N2/c1-6(2)8(7(3)9)10(4)5/h6H,3,9H2,1-2,4-5H3/q+1
InChIKeyLOFQQTLDTISYOI-UHFFFAOYSA-N
MW141.24 g/mol
LogP0.83
Rot. Bonds2

About (2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium

(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium (PubChem CID 166145401) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is (2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium
PubChem CID166145401
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Name(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium
SMILESC=C(N)C(C(C)C)=[N+](C)C
InChIInChI=1S/C8H17N2/c1-6(2)8(7(3)9)10(4)5/h6H,3,9H2,1-2,4-5H3/q+1
InChIKeyLOFQQTLDTISYOI-UHFFFAOYSA-N
XLogP0.83
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
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

acetylene;(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium;pyrrolidine
CID 166145400
(3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine
CID 142348700
2-methylpropane;prop-1-en-2-amine
CID 174893746
(3R)-but-1-ene-2,3-diamine
CID 142167658
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667
2-(3-methylbut-1-en-2-yl)guanidine
CID 129238446
4,5,5-trimethyl-3-methylidenehex-1-en-2-amine
CID 126550733
methyl-methylidene-prop-1-en-2-ylazanium
CID 123573311
(1-amino-2-methylpropylidene)azanium
CID 6346755
CID 174026996
CID 174026996
2-methylpropanethioamide;hydrochloride
CID 87468880
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium?
The IUPAC name of (2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium (CID 166145401) is (2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium.
What is the SMILES notation for (2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium?
The canonical SMILES for (2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium is C=C(N)C(C(C)C)=[N+](C)C.
What is the InChIKey of (2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium?
The InChIKey is LOFQQTLDTISYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2/c1-6(2)8(7(3)9)10(4)5/h6H,3,9H2,1-2,4-5H3/q+1.
What are the key properties of (2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium?
(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium has a molecular weight of 141.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium is sourced from PubChem (CID 166145401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).