1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine

C14H25NO — CID 115849857

IUPAC1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine
SMILESCNC(CCC(C)(C)C)c1cc(C)oc1C
InChIInChI=1S/C14H25NO/c1-10-9-12(11(2)16-10)13(15-6)7-8-14(3,4)5/h9,13,15H,7-8H2,1-6H3
InChIKeyHYOPMZIXVPQSPN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.98
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine

1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine (PubChem CID 115849857) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine
PubChem CID115849857
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine
SMILESCNC(CCC(C)(C)C)c1cc(C)oc1C
InChIInChI=1S/C14H25NO/c1-10-9-12(11(2)16-10)13(15-6)7-8-14(3,4)5/h9,13,15H,7-8H2,1-6H3
InChIKeyHYOPMZIXVPQSPN-UHFFFAOYSA-N
XLogP3.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine (CID 115849857) is 1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine is CNC(CCC(C)(C)C)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine?
The InChIKey is HYOPMZIXVPQSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-9-12(11(2)16-10)13(15-6)7-8-14(3,4)5/h9,13,15H,7-8H2,1-6H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine?
1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 115849857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).