N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine

C17H30N2O2 — CID 102740914

IUPACN-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine
SMILESCc1cc(COCCN(C)C2CC2)oc1CNC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-13-10-15(21-16(13)11-18-17(2,3)4)12-20-9-8-19(5)14-6-7-14/h10,14,18H,6-9,11-12H2,1-5H3
InChIKeyUOZUNSALFINPGE-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.09
Rot. Bonds8

About N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine

N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102740914) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine
PubChem CID102740914
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine
SMILESCc1cc(COCCN(C)C2CC2)oc1CNC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-13-10-15(21-16(13)11-18-17(2,3)4)12-20-9-8-19(5)14-6-7-14/h10,14,18H,6-9,11-12H2,1-5H3
InChIKeyUOZUNSALFINPGE-UHFFFAOYSA-N
XLogP3.09
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62460612
N-[[5-(2-butoxyethoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62456393
N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62444441
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62445953
N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
CID 62428779
N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 82956792
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63657143
1-[5-(2-cyclobutylethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 106206153
N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438515
2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62436432
N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459166
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine (CID 102740914) is N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine is Cc1cc(COCCN(C)C2CC2)oc1CNC(C)(C)C.
What is the InChIKey of N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is UOZUNSALFINPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13-10-15(21-16(13)11-18-17(2,3)4)12-20-9-8-19(5)14-6-7-14/h10,14,18H,6-9,11-12H2,1-5H3.
What are the key properties of N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine?
N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 294.44 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102740914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).