N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine

C12H24N2O — CID 88867284

IUPACN,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine
SMILESC=C(C)C(=C)OC(CN(C)C)CN(C)C
InChIInChI=1S/C12H24N2O/c1-10(2)11(3)15-12(8-13(4)5)9-14(6)7/h12H,1,3,8-9H2,2,4-7H3
InChIKeyAORFYESOXMTJQG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.58
Rot. Bonds7

About N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine

N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine (PubChem CID 88867284) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine
PubChem CID88867284
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine
SMILESC=C(C)C(=C)OC(CN(C)C)CN(C)C
InChIInChI=1S/C12H24N2O/c1-10(2)11(3)15-12(8-13(4)5)9-14(6)7/h12H,1,3,8-9H2,2,4-7H3
InChIKeyAORFYESOXMTJQG-UHFFFAOYSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine?
The IUPAC name of N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine (CID 88867284) is N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine.
What is the SMILES notation for N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine?
The canonical SMILES for N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine is C=C(C)C(=C)OC(CN(C)C)CN(C)C.
What is the InChIKey of N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine?
The InChIKey is AORFYESOXMTJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)11(3)15-12(8-13(4)5)9-14(6)7/h12H,1,3,8-9H2,2,4-7H3.
What are the key properties of N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine?
N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetramethyl-2-(3-methylbuta-1,3-dien-2-yloxy)propane-1,3-diamine is sourced from PubChem (CID 88867284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).