N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine

C17H30N2O2 — CID 62411545

IUPACN-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCCOC1CCCN(Cc2cc(CNCC)oc2C)C1
InChIInChI=1S/C17H30N2O2/c1-4-9-20-16-7-6-8-19(13-16)12-15-10-17(11-18-5-2)21-14(15)3/h10,16,18H,4-9,11-13H2,1-3H3
InChIKeyXTZXXAUEICECKE-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.09
Rot. Bonds8

About N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine

N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62411545) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62411545
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCCOC1CCCN(Cc2cc(CNCC)oc2C)C1
InChIInChI=1S/C17H30N2O2/c1-4-9-20-16-7-6-8-19(13-16)12-15-10-17(11-18-5-2)21-14(15)3/h10,16,18H,4-9,11-13H2,1-3H3
InChIKeyXTZXXAUEICECKE-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

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Related Compounds

N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 102968207
N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62411045
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62427660
N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62432159
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55074153
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62411193
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 54985711
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 102967917
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62412948

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine (CID 62411545) is N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine is CCCOC1CCCN(Cc2cc(CNCC)oc2C)C1.
What is the InChIKey of N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is XTZXXAUEICECKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-9-20-16-7-6-8-19(13-16)12-15-10-17(11-18-5-2)21-14(15)3/h10,16,18H,4-9,11-13H2,1-3H3.
What are the key properties of N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine 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-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62411545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).