N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine

C16H31N3O — CID 102997752

IUPACN'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)Cc1cc(CN)oc1C
InChIInChI=1S/C16H31N3O/c1-5-18(6-2)9-8-10-19(7-3)13-15-11-16(12-17)20-14(15)4/h11H,5-10,12-13,17H2,1-4H3
InChIKeySVWBBKXYIYMWQU-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.60
Rot. Bonds10

About N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102997752) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102997752
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)Cc1cc(CN)oc1C
InChIInChI=1S/C16H31N3O/c1-5-18(6-2)9-8-10-19(7-3)13-15-11-16(12-17)20-14(15)4/h11H,5-10,12-13,17H2,1-4H3
InChIKeySVWBBKXYIYMWQU-UHFFFAOYSA-N
XLogP2.60
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine
CID 55072164
2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62459505
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]-N-methylpentan-2-amine
CID 62434374
(4,5-dimethylfuran-2-yl)methanamine;ethane
CID 142883143
[5-(aminomethyl)-2-methylfuran-3-yl]methanol
CID 82502468
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62427968
4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 113469239
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
CID 106034427
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine
CID 62420758
N'-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991694

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102997752) is N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)Cc1cc(CN)oc1C.
What is the InChIKey of N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is SVWBBKXYIYMWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-18(6-2)9-8-10-19(7-3)13-15-11-16(12-17)20-14(15)4/h11H,5-10,12-13,17H2,1-4H3.
What are the key properties of N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 281.44 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102997752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).