N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine

C18H32N2O — CID 63163387

IUPACN-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCCC1(C)CCN(Cc2cc(CNC(C)C)oc2C)CC1
InChIInChI=1S/C18H32N2O/c1-6-18(5)7-9-20(10-8-18)13-16-11-17(21-15(16)4)12-19-14(2)3/h11,14,19H,6-10,12-13H2,1-5H3
InChIKeyYYLGFAUBDIDJLR-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.10
Rot. Bonds6

About N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine

N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 63163387) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID63163387
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCCC1(C)CCN(Cc2cc(CNC(C)C)oc2C)CC1
InChIInChI=1S/C18H32N2O/c1-6-18(5)7-9-20(10-8-18)13-16-11-17(21-15(16)4)12-19-14(2)3/h11,14,19H,6-10,12-13H2,1-5H3
InChIKeyYYLGFAUBDIDJLR-UHFFFAOYSA-N
XLogP4.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 63163389
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63159975
N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412026
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63159756
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62438593
N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114413222
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556748
N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63159888
N-[[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62418259
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412465
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62930821

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine (CID 63163387) is N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine is CCC1(C)CCN(Cc2cc(CNC(C)C)oc2C)CC1.
What is the InChIKey of N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is YYLGFAUBDIDJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-18(5)7-9-20(10-8-18)13-16-11-17(21-15(16)4)12-19-14(2)3/h11,14,19H,6-10,12-13H2,1-5H3.
What are the key properties of N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63163387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).