N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine

C11H19NO — CID 115854212

IUPACN,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine
SMILESCNC(c1coc(C)c1)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-8-6-9(7-13-8)10(12-5)11(2,3)4/h6-7,10,12H,1-5H3
InChIKeyUXJKKNTUDRNOAW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.89
Rot. Bonds2

About N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine

N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine (PubChem CID 115854212) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine
PubChem CID115854212
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine
SMILESCNC(c1coc(C)c1)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-8-6-9(7-13-8)10(12-5)11(2,3)4/h6-7,10,12H,1-5H3
InChIKeyUXJKKNTUDRNOAW-UHFFFAOYSA-N
XLogP2.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine (CID 115854212) is N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine is CNC(c1coc(C)c1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine?
The InChIKey is UXJKKNTUDRNOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-6-9(7-13-8)10(12-5)11(2,3)4/h6-7,10,12H,1-5H3.
What are the key properties of N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine?
N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(5-methylfuran-3-yl)propan-1-amine is sourced from PubChem (CID 115854212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).