N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine

C14H25NO3 — CID 62440911

IUPACN-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCCOCc1occc1CNC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-14(2,3)15-10-12-6-9-18-13(12)11-17-8-5-7-16-4/h6,9,15H,5,7-8,10-11H2,1-4H3
InChIKeyVPRIQLHNVGTQAH-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds8

About N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62440911) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62440911
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCCOCc1occc1CNC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-14(2,3)15-10-12-6-9-18-13(12)11-17-8-5-7-16-4/h6,9,15H,5,7-8,10-11H2,1-4H3
InChIKeyVPRIQLHNVGTQAH-UHFFFAOYSA-N
XLogP2.72
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62455635
N-[[2-(hexoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62456817
2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444249
1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine
CID 103181044
[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
CID 103406388
2-methyl-N-[[2-(2-methylbutan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62456990
2-methyl-N-[[2-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444617
N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62442427
2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444899
1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66225474
N-[[3-[[bis(2-methoxyethyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62462675
N-methyl-1-[2-(4-methylpentoxymethyl)furan-3-yl]methanamine
CID 62455304

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine (CID 62440911) is N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine is COCCCOCc1occc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VPRIQLHNVGTQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)15-10-12-6-9-18-13(12)11-17-8-5-7-16-4/h6,9,15H,5,7-8,10-11H2,1-4H3.
What are the key properties of N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62440911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).