N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine

C14H26N2O2 — CID 113325033

IUPACN-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOCc1cc(CN)co1)C(C)C
InChIInChI=1S/C14H26N2O2/c1-11(2)16(12(3)4)5-6-17-10-14-7-13(8-15)9-18-14/h7,9,11-12H,5-6,8,10,15H2,1-4H3
InChIKeyVDXSHZXXIWTUTC-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.37
Rot. Bonds8

About N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 113325033) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID113325033
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOCc1cc(CN)co1)C(C)C
InChIInChI=1S/C14H26N2O2/c1-11(2)16(12(3)4)5-6-17-10-14-7-13(8-15)9-18-14/h7,9,11-12H,5-6,8,10,15H2,1-4H3
InChIKeyVDXSHZXXIWTUTC-UHFFFAOYSA-N
XLogP2.37
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.37
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-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 113325033) is N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOCc1cc(CN)co1)C(C)C.
What is the InChIKey of N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is VDXSHZXXIWTUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)16(12(3)4)5-6-17-10-14-7-13(8-15)9-18-14/h7,9,11-12H,5-6,8,10,15H2,1-4H3.
What are the key properties of N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 254.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 113325033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).