N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine

C16H29NO2 — CID 66225246

IUPACN-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccoc1COCCC(C)(C)C
InChIInChI=1S/C16H29NO2/c1-13(2)10-17-11-14-6-8-19-15(14)12-18-9-7-16(3,4)5/h6,8,13,17H,7,9-12H2,1-5H3
InChIKeyLKIFCGLLBLLLFP-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.98
Rot. Bonds8

About N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66225246) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID66225246
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccoc1COCCC(C)(C)C
InChIInChI=1S/C16H29NO2/c1-13(2)10-17-11-14-6-8-19-15(14)12-18-9-7-16(3,4)5/h6,8,13,17H,7,9-12H2,1-5H3
InChIKeyLKIFCGLLBLLLFP-UHFFFAOYSA-N
XLogP3.98
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.98
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

2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372
1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66225474
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62445215
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 66227505
N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 76943491
2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451256
2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62456618
N-[[2-[(2,4-dibromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64712467
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62460473
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine (CID 66225246) is N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccoc1COCCC(C)(C)C.
What is the InChIKey of N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LKIFCGLLBLLLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(2)10-17-11-14-6-8-19-15(14)12-18-9-7-16(3,4)5/h6,8,13,17H,7,9-12H2,1-5H3.
What are the key properties of N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66225246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).