N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine

C16H29NO2 — CID 66226145

IUPACN-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCOCc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C16H29NO2/c1-15(2,3)9-10-18-12-14-8-7-13(19-14)11-17-16(4,5)6/h7-8,17H,9-12H2,1-6H3
InChIKeyKNPJXAUQOLKZPA-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.12
Rot. Bonds6

About N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66226145) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID66226145
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCOCc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C16H29NO2/c1-15(2,3)9-10-18-12-14-8-7-13(19-14)11-17-16(4,5)6/h7-8,17H,9-12H2,1-6H3
InChIKeyKNPJXAUQOLKZPA-UHFFFAOYSA-N
XLogP4.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 103401859
N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459166
2-methyl-N-[[5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62442463
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 66275770
N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62460827
N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 83138171
N-[[5-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62452473
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63496470
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444776
N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
CID 82791750

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine (CID 66226145) is N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)CCOCc1ccc(CNC(C)(C)C)o1.
What is the InChIKey of N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KNPJXAUQOLKZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15(2,3)9-10-18-12-14-8-7-13(19-14)11-17-16(4,5)6/h7-8,17H,9-12H2,1-6H3.
What are the key properties of N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 267.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66226145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).