N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

C15H27NO2 — CID 2867767

IUPACN-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCOCCCNC(C)CC(C)(C)c1ccc(C)o1
InChIInChI=1S/C15H27NO2/c1-12(16-9-6-10-17-5)11-15(3,4)14-8-7-13(2)18-14/h7-8,12,16H,6,9-11H2,1-5H3
InChIKeyGHWUGXLDFNKFED-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.27
Rot. Bonds8

About N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (PubChem CID 2867767) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
PubChem CID2867767
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCOCCCNC(C)CC(C)(C)c1ccc(C)o1
InChIInChI=1S/C15H27NO2/c1-12(16-9-6-10-17-5)11-15(3,4)14-8-7-13(2)18-14/h7-8,12,16H,6,9-11H2,1-5H3
InChIKeyGHWUGXLDFNKFED-UHFFFAOYSA-N
XLogP3.27
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (CID 2867767) is N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is COCCCNC(C)CC(C)(C)c1ccc(C)o1.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The InChIKey is GHWUGXLDFNKFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(16-9-6-10-17-5)11-15(3,4)14-8-7-13(2)18-14/h7-8,12,16H,6,9-11H2,1-5H3.
What are the key properties of N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is sourced from PubChem (CID 2867767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).