furan;2-methylprop-1-ene;propane-1,1-diamine

C11H22N2O — CID 67860137

IUPACfuran;2-methylprop-1-ene;propane-1,1-diamine
SMILESC=C(C)C.CCC(N)N.c1ccoc1
InChIInChI=1S/C4H4O.C4H8.C3H10N2/c1-2-4-5-3-1;1-4(2)3;1-2-3(4)5/h1-4H;1H2,2-3H3;3H,2,4-5H2,1H3
InChIKeyDGEYZTQQZFUVQG-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.50
Rot. Bonds1

About furan;2-methylprop-1-ene;propane-1,1-diamine

furan;2-methylprop-1-ene;propane-1,1-diamine (PubChem CID 67860137) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is furan;2-methylprop-1-ene;propane-1,1-diamine.

Molecular Properties

Compound Namefuran;2-methylprop-1-ene;propane-1,1-diamine
PubChem CID67860137
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Namefuran;2-methylprop-1-ene;propane-1,1-diamine
SMILESC=C(C)C.CCC(N)N.c1ccoc1
InChIInChI=1S/C4H4O.C4H8.C3H10N2/c1-2-4-5-3-1;1-4(2)3;1-2-3(4)5/h1-4H;1H2,2-3H3;3H,2,4-5H2,1H3
InChIKeyDGEYZTQQZFUVQG-UHFFFAOYSA-N
XLogP2.50
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan;2-methylprop-1-ene;propane-1,1-diamine?
The IUPAC name of furan;2-methylprop-1-ene;propane-1,1-diamine (CID 67860137) is furan;2-methylprop-1-ene;propane-1,1-diamine.
What is the SMILES notation for furan;2-methylprop-1-ene;propane-1,1-diamine?
The canonical SMILES for furan;2-methylprop-1-ene;propane-1,1-diamine is C=C(C)C.CCC(N)N.c1ccoc1.
What is the InChIKey of furan;2-methylprop-1-ene;propane-1,1-diamine?
The InChIKey is DGEYZTQQZFUVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C4H8.C3H10N2/c1-2-4-5-3-1;1-4(2)3;1-2-3(4)5/h1-4H;1H2,2-3H3;3H,2,4-5H2,1H3.
What are the key properties of furan;2-methylprop-1-ene;propane-1,1-diamine?
furan;2-methylprop-1-ene;propane-1,1-diamine has a molecular weight of 198.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan;2-methylprop-1-ene;propane-1,1-diamine is sourced from PubChem (CID 67860137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).