N,N-dimethyl-3-methyliminoprop-1-en-2-amine

C6H12N2 — CID 89398792

IUPACN,N-dimethyl-3-methyliminoprop-1-en-2-amine
SMILESC=C(/C=N/C)N(C)C
InChIInChI=1S/C6H12N2/c1-6(5-7-2)8(3)4/h5H,1H2,2-4H3/b7-5+
InChIKeyUTRWJZSHFBBAHR-FNORWQNLSA-N
MW112.18 g/mol
LogP0.76
Rot. Bonds2

About N,N-dimethyl-3-methyliminoprop-1-en-2-amine

N,N-dimethyl-3-methyliminoprop-1-en-2-amine (PubChem CID 89398792) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N,N-dimethyl-3-methyliminoprop-1-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-methyliminoprop-1-en-2-amine
PubChem CID89398792
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN,N-dimethyl-3-methyliminoprop-1-en-2-amine
SMILESC=C(/C=N/C)N(C)C
InChIInChI=1S/C6H12N2/c1-6(5-7-2)8(3)4/h5H,1H2,2-4H3/b7-5+
InChIKeyUTRWJZSHFBBAHR-FNORWQNLSA-N
XLogP0.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.76
H-Bond Donors ≤ 50
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 N,N-dimethyl-3-methyliminoprop-1-en-2-amine?
The IUPAC name of N,N-dimethyl-3-methyliminoprop-1-en-2-amine (CID 89398792) is N,N-dimethyl-3-methyliminoprop-1-en-2-amine.
What is the SMILES notation for N,N-dimethyl-3-methyliminoprop-1-en-2-amine?
The canonical SMILES for N,N-dimethyl-3-methyliminoprop-1-en-2-amine is C=C(/C=N/C)N(C)C.
What is the InChIKey of N,N-dimethyl-3-methyliminoprop-1-en-2-amine?
The InChIKey is UTRWJZSHFBBAHR-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(5-7-2)8(3)4/h5H,1H2,2-4H3/b7-5+.
What are the key properties of N,N-dimethyl-3-methyliminoprop-1-en-2-amine?
N,N-dimethyl-3-methyliminoprop-1-en-2-amine has a molecular weight of 112.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-methyliminoprop-1-en-2-amine is sourced from PubChem (CID 89398792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).