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

C15H28N2O2 — CID 62459166

IUPACN-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCN(C)CCCOCc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)16-11-13-7-8-14(19-13)12-18-10-6-9-17(4)5/h7-8,16H,6,9-12H2,1-5H3
InChIKeyRRHFISFCHKTJKR-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.64
Rot. Bonds8

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

N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62459166) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62459166
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCN(C)CCCOCc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)16-11-13-7-8-14(19-13)12-18-10-6-9-17(4)5/h7-8,16H,6,9-12H2,1-5H3
InChIKeyRRHFISFCHKTJKR-UHFFFAOYSA-N
XLogP2.64
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.64
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-[[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-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 66226145
N-[[5-[3-(dimethylamino)propoxymethyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62460604
N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62460612
2-methyl-N-[[5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62442463
N-[[3-bromo-4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102773124
N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62460827
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55076989
2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine
CID 62459822
N-[[5-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62452473
N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62460379

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 62459166) is N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine is CN(C)CCCOCc1ccc(CNC(C)(C)C)o1.
What is the InChIKey of N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RRHFISFCHKTJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)16-11-13-7-8-14(19-13)12-18-10-6-9-17(4)5/h7-8,16H,6,9-12H2,1-5H3.
What are the key properties of N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62459166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).