N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane

C13H26N2 — CID 142523048

IUPACN,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane
SMILESC=C(C)/C=N/C(CNC)=C(C)C.CCC
InChIInChI=1S/C10H18N2.C3H8/c1-8(2)6-12-10(7-11-5)9(3)4;1-3-2/h6,11H,1,7H2,2-5H3;3H2,1-2H3/b12-6+;
InChIKeyTUZLEMAXJXTQOI-WXIWBVQFSA-N
MW210.36 g/mol
LogP3.56
Rot. Bonds4

About N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane

N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane (PubChem CID 142523048) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane.

Molecular Properties

Compound NameN,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane
PubChem CID142523048
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane
SMILESC=C(C)/C=N/C(CNC)=C(C)C.CCC
InChIInChI=1S/C10H18N2.C3H8/c1-8(2)6-12-10(7-11-5)9(3)4;1-3-2/h6,11H,1,7H2,2-5H3;3H2,1-2H3/b12-6+;
InChIKeyTUZLEMAXJXTQOI-WXIWBVQFSA-N
XLogP3.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.56
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 N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane?
The IUPAC name of N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane (CID 142523048) is N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane.
What is the SMILES notation for N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane?
The canonical SMILES for N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane is C=C(C)/C=N/C(CNC)=C(C)C.CCC.
What is the InChIKey of N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane?
The InChIKey is TUZLEMAXJXTQOI-WXIWBVQFSA-N. The full InChI is InChI=1S/C10H18N2.C3H8/c1-8(2)6-12-10(7-11-5)9(3)4;1-3-2/h6,11H,1,7H2,2-5H3;3H2,1-2H3/b12-6+;.
What are the key properties of N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane?
N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane has a molecular weight of 210.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-amine;propane is sourced from PubChem (CID 142523048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).