N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine

C15H28N2O — CID 55072164

IUPACN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)Cc1cc(CN)oc1C
InChIInChI=1S/C15H28N2O/c1-5-13(6-2)10-17(7-3)11-14-8-15(9-16)18-12(14)4/h8,13H,5-7,9-11,16H2,1-4H3
InChIKeyFBYWIOWQKKFYFM-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.30
Rot. Bonds8

About N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine

N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine (PubChem CID 55072164) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine
PubChem CID55072164
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)Cc1cc(CN)oc1C
InChIInChI=1S/C15H28N2O/c1-5-13(6-2)10-17(7-3)11-14-8-15(9-16)18-12(14)4/h8,13H,5-7,9-11,16H2,1-4H3
InChIKeyFBYWIOWQKKFYFM-UHFFFAOYSA-N
XLogP3.30
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102997752
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine
CID 62434374
2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62459505
[5-(aminomethyl)-2-methylfuran-3-yl]methanol
CID 82502468
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine
CID 62436655
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-propylcyclopropanamine
CID 62422354
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62427968
3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide
CID 43587416
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62434217
(4,5-dimethylfuran-2-yl)methanamine;ethane
CID 142883143
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62435677

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine?
The IUPAC name of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine (CID 55072164) is N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine is CCC(CC)CN(CC)Cc1cc(CN)oc1C.
What is the InChIKey of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine?
The InChIKey is FBYWIOWQKKFYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-13(6-2)10-17(7-3)11-14-8-15(9-16)18-12(14)4/h8,13H,5-7,9-11,16H2,1-4H3.
What are the key properties of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine?
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 55072164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).