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

C16H30N2O2 — CID 62460612

IUPACN-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(COCCCN(C)C)oc1CNC(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-13-10-14(12-19-9-7-8-18(5)6)20-15(13)11-17-16(2,3)4/h10,17H,7-9,11-12H2,1-6H3
InChIKeyZSJAYDIDDIUZJW-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.94
Rot. Bonds8

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

N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62460612) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62460612
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(COCCCN(C)C)oc1CNC(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-13-10-14(12-19-9-7-8-18(5)6)20-15(13)11-17-16(2,3)4/h10,17H,7-9,11-12H2,1-6H3
InChIKeyZSJAYDIDDIUZJW-UHFFFAOYSA-N
XLogP2.94
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.94
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-(2-butoxyethoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62456393
N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740914
N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459166
N-[[5-[3-(dimethylamino)propoxymethyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62460604
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-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55076989
N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
CID 62428779
N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113639
N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438515
N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 82956792

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 62460612) is N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is Cc1cc(COCCCN(C)C)oc1CNC(C)(C)C.
What is the InChIKey of N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZSJAYDIDDIUZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13-10-14(12-19-9-7-8-18(5)6)20-15(13)11-17-16(2,3)4/h10,17H,7-9,11-12H2,1-6H3.
What are the key properties of N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 2.94, 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]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62460612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).