N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine

C15H28N2O2 — CID 115505780

IUPACN-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1oc(CN)cc1COCCN(C(C)C)C(C)C
InChIInChI=1S/C15H28N2O2/c1-11(2)17(12(3)4)6-7-18-10-14-8-15(9-16)19-13(14)5/h8,11-12H,6-7,9-10,16H2,1-5H3
InChIKeyGIIWWYAFHOXVDF-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.68
Rot. Bonds8

About N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115505780) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115505780
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1oc(CN)cc1COCCN(C(C)C)C(C)C
InChIInChI=1S/C15H28N2O2/c1-11(2)17(12(3)4)6-7-18-10-14-8-15(9-16)19-13(14)5/h8,11-12H,6-7,9-10,16H2,1-5H3
InChIKeyGIIWWYAFHOXVDF-UHFFFAOYSA-N
XLogP2.68
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 115505780) is N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine is Cc1oc(CN)cc1COCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is GIIWWYAFHOXVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)17(12(3)4)6-7-18-10-14-8-15(9-16)19-13(14)5/h8,11-12H,6-7,9-10,16H2,1-5H3.
What are the key properties of N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115505780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).