N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine

C16H29NO4 — CID 103401859

IUPACN-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCCOCc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C16H29NO4/c1-16(2,3)17-12-14-6-7-15(21-14)13-20-9-5-8-19-11-10-18-4/h6-7,17H,5,8-13H2,1-4H3
InChIKeyCZTBRFLRCGRCLJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.74
Rot. Bonds11

About N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103401859) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID103401859
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC NameN-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCCOCc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C16H29NO4/c1-16(2,3)17-12-14-6-7-15(21-14)13-20-9-5-8-19-11-10-18-4/h6-7,17H,5,8-13H2,1-4H3
InChIKeyCZTBRFLRCGRCLJ-UHFFFAOYSA-N
XLogP2.74
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62457603
N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459166
N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 66226145
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729
2-methyl-N-[[5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62442463
N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107559260
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 103409048
N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62455984
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
[5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol
CID 104564733
N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62460827
N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62440911

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 103401859) is N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine is COCCOCCCOCc1ccc(CNC(C)(C)C)o1.
What is the InChIKey of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CZTBRFLRCGRCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-16(2,3)17-12-14-6-7-15(21-14)13-20-9-5-8-19-11-10-18-4/h6-7,17H,5,8-13H2,1-4H3.
What are the key properties of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 299.41 g/mol, XLogP of 2.74, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103401859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).