N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine

C16H29NO2 — CID 62457603

IUPACN-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCCCOCc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C16H29NO2/c1-5-6-7-8-11-18-13-15-10-9-14(19-15)12-17-16(2,3)4/h9-10,17H,5-8,11-13H2,1-4H3
InChIKeyHQUMLLKXQCONKE-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.26
Rot. Bonds9

About N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62457603) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62457603
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCCCOCc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C16H29NO2/c1-5-6-7-8-11-18-13-15-10-9-14(19-15)12-17-16(2,3)4/h9-10,17H,5-8,11-13H2,1-4H3
InChIKeyHQUMLLKXQCONKE-UHFFFAOYSA-N
XLogP4.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.26
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-[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
N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 66226145
N-[[5-(octadecoxymethyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 130327903
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
2-methyl-5-(octoxymethyl)furan
CID 21314380
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
[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide
CID 118173209
N-[[3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63492481
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622

Frequently Asked Questions

What is the IUPAC name of N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine (CID 62457603) is N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine is CCCCCCOCc1ccc(CNC(C)(C)C)o1.
What is the InChIKey of N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HQUMLLKXQCONKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-5-6-7-8-11-18-13-15-10-9-14(19-15)12-17-16(2,3)4/h9-10,17H,5-8,11-13H2,1-4H3.
What are the key properties of N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 267.41 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62457603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).