2-imino-N,N,3-trimethylbut-3-en-1-amine;methane

C8H18N2 — CID 167458585

IUPAC2-imino-N,N,3-trimethylbut-3-en-1-amine;methane
SMILESC.[H]/N=C(\CN(C)C)C(=C)C
InChIInChI=1S/C7H14N2.CH4/c1-6(2)7(8)5-9(3)4;/h8H,1,5H2,2-4H3;1H4/b8-7+;
InChIKeyHOAGALVEHJOPQB-USRGLUTNSA-N
MW142.25 g/mol
LogP1.78
Rot. Bonds3

About 2-imino-N,N,3-trimethylbut-3-en-1-amine;methane

2-imino-N,N,3-trimethylbut-3-en-1-amine;methane (PubChem CID 167458585) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-imino-N,N,3-trimethylbut-3-en-1-amine;methane.

Molecular Properties

Compound Name2-imino-N,N,3-trimethylbut-3-en-1-amine;methane
PubChem CID167458585
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-imino-N,N,3-trimethylbut-3-en-1-amine;methane
SMILESC.[H]/N=C(\CN(C)C)C(=C)C
InChIInChI=1S/C7H14N2.CH4/c1-6(2)7(8)5-9(3)4;/h8H,1,5H2,2-4H3;1H4/b8-7+;
InChIKeyHOAGALVEHJOPQB-USRGLUTNSA-N
XLogP1.78
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-N,N,3-trimethylbut-3-en-1-amine;methane?
The IUPAC name of 2-imino-N,N,3-trimethylbut-3-en-1-amine;methane (CID 167458585) is 2-imino-N,N,3-trimethylbut-3-en-1-amine;methane.
What is the SMILES notation for 2-imino-N,N,3-trimethylbut-3-en-1-amine;methane?
The canonical SMILES for 2-imino-N,N,3-trimethylbut-3-en-1-amine;methane is C.[H]/N=C(\CN(C)C)C(=C)C.
What is the InChIKey of 2-imino-N,N,3-trimethylbut-3-en-1-amine;methane?
The InChIKey is HOAGALVEHJOPQB-USRGLUTNSA-N. The full InChI is InChI=1S/C7H14N2.CH4/c1-6(2)7(8)5-9(3)4;/h8H,1,5H2,2-4H3;1H4/b8-7+;.
What are the key properties of 2-imino-N,N,3-trimethylbut-3-en-1-amine;methane?
2-imino-N,N,3-trimethylbut-3-en-1-amine;methane has a molecular weight of 142.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N,N,3-trimethylbut-3-en-1-amine;methane is sourced from PubChem (CID 167458585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).