N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine

C13H24N2O — CID 62434374

IUPACN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine
SMILESCCCC(C)N(C)Cc1cc(CN)oc1C
InChIInChI=1S/C13H24N2O/c1-5-6-10(2)15(4)9-12-7-13(8-14)16-11(12)3/h7,10H,5-6,8-9,14H2,1-4H3
InChIKeyJHGOIGQLPVKSHR-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.67
Rot. Bonds6

About N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine

N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine (PubChem CID 62434374) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine
PubChem CID62434374
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine
SMILESCCCC(C)N(C)Cc1cc(CN)oc1C
InChIInChI=1S/C13H24N2O/c1-5-6-10(2)15(4)9-12-7-13(8-14)16-11(12)3/h7,10H,5-6,8-9,14H2,1-4H3
InChIKeyJHGOIGQLPVKSHR-UHFFFAOYSA-N
XLogP2.67
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine
CID 55072164
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62427968
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,4-dimethylcyclohexan-1-amine
CID 55069371
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-propylcyclopropanamine
CID 62422354
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine
CID 102769820
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62434217
[5-(aminomethyl)-2-methylfuran-3-yl]methanol
CID 82502468
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62463726
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62435677
[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
CID 62432735
N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55069990

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine?
The IUPAC name of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine (CID 62434374) is N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine?
The canonical SMILES for N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine is CCCC(C)N(C)Cc1cc(CN)oc1C.
What is the InChIKey of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine?
The InChIKey is JHGOIGQLPVKSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-6-10(2)15(4)9-12-7-13(8-14)16-11(12)3/h7,10H,5-6,8-9,14H2,1-4H3.
What are the key properties of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine?
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.67, 6 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-methylpentan-2-amine is sourced from PubChem (CID 62434374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).