1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine

C13H21NO — CID 115876698

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
SMILESCCC1(CNCc2cc(C)oc2C)CC1
InChIInChI=1S/C13H21NO/c1-4-13(5-6-13)9-14-8-12-7-10(2)15-11(12)3/h7,14H,4-6,8-9H2,1-3H3
InChIKeyJVKKONNJGUSEIL-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.18
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine

1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine (PubChem CID 115876698) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
PubChem CID115876698
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
SMILESCCC1(CNCc2cc(C)oc2C)CC1
InChIInChI=1S/C13H21NO/c1-4-13(5-6-13)9-14-8-12-7-10(2)15-11(12)3/h7,14H,4-6,8-9H2,1-3H3
InChIKeyJVKKONNJGUSEIL-UHFFFAOYSA-N
XLogP3.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115876700
1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 115876377
N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115968246
6-[[(1-ethylcyclopropyl)methylamino]methyl]-1,3-benzodioxol-5-ol
CID 113251456
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
1-(4-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 102609714
N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
CID 114107436
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
N-[(1-ethylcyclopropyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756472
1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine
CID 115876158
1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115627578
1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680349

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine (CID 115876698) is 1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine is CCC1(CNCc2cc(C)oc2C)CC1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The InChIKey is JVKKONNJGUSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(5-6-13)9-14-8-12-7-10(2)15-11(12)3/h7,14H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 3.18, 5 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-[(1-ethylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 115876698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).