N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine

C13H23NO2 — CID 115710576

IUPACN-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCc1ccc(COC)o1
InChIInChI=1S/C13H23NO2/c1-5-10(2)11(3)14-8-12-6-7-13(16-12)9-15-4/h6-7,10-11,14H,5,8-9H2,1-4H3
InChIKeyAGJZLMOBDFYPCD-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.95
Rot. Bonds7

About N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine

N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine (PubChem CID 115710576) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine
PubChem CID115710576
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCc1ccc(COC)o1
InChIInChI=1S/C13H23NO2/c1-5-10(2)11(3)14-8-12-6-7-13(16-12)9-15-4/h6-7,10-11,14H,5,8-9H2,1-4H3
InChIKeyAGJZLMOBDFYPCD-UHFFFAOYSA-N
XLogP2.95
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine
CID 115710834
3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol
CID 115710985
3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
CID 63842434
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol
CID 111467126
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
N-[[5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444595
N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55077409
N-[[5-(methoxymethyl)furan-2-yl]methyl]-4-methylpentan-1-amine
CID 115710483
2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol
CID 12655820
methyl 3-methyl-2-[(5-methylfuran-2-yl)methylamino]pentanoate
CID 43732325
N-[[5-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62459300
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine?
The IUPAC name of N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine (CID 115710576) is N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine?
The canonical SMILES for N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine is CCC(C)C(C)NCc1ccc(COC)o1.
What is the InChIKey of N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine?
The InChIKey is AGJZLMOBDFYPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-10(2)11(3)14-8-12-6-7-13(16-12)9-15-4/h6-7,10-11,14H,5,8-9H2,1-4H3.
What are the key properties of N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine?
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine has a molecular weight of 225.33 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine is sourced from PubChem (CID 115710576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).