N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine

C14H25NO — CID 107894126

IUPACN,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine
SMILESCCCC(C)C(NC)c1c(C)oc(C)c1C
InChIInChI=1S/C14H25NO/c1-7-8-9(2)14(15-6)13-10(3)11(4)16-12(13)5/h9,14-15H,7-8H2,1-6H3
InChIKeyLEZNMOGNZCVPKU-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.90
Rot. Bonds5

About N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine

N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine (PubChem CID 107894126) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine
PubChem CID107894126
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine
SMILESCCCC(C)C(NC)c1c(C)oc(C)c1C
InChIInChI=1S/C14H25NO/c1-7-8-9(2)14(15-6)13-10(3)11(4)16-12(13)5/h9,14-15H,7-8H2,1-6H3
InChIKeyLEZNMOGNZCVPKU-UHFFFAOYSA-N
XLogP3.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine?
The IUPAC name of N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine (CID 107894126) is N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine is CCCC(C)C(NC)c1c(C)oc(C)c1C.
What is the InChIKey of N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine?
The InChIKey is LEZNMOGNZCVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-7-8-9(2)14(15-6)13-10(3)11(4)16-12(13)5/h9,14-15H,7-8H2,1-6H3.
What are the key properties of N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine?
N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine is sourced from PubChem (CID 107894126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).