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

C18H30N2O — CID 63163389

IUPACN-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCCC1(C)CCN(Cc2cc(CNC3CC3)oc2C)CC1
InChIInChI=1S/C18H30N2O/c1-4-18(3)7-9-20(10-8-18)13-15-11-17(21-14(15)2)12-19-16-5-6-16/h11,16,19H,4-10,12-13H2,1-3H3
InChIKeyMEQLFDXEVGPLGD-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.85
Rot. Bonds6

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

N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 63163389) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID63163389
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCCC1(C)CCN(Cc2cc(CNC3CC3)oc2C)CC1
InChIInChI=1S/C18H30N2O/c1-4-18(3)7-9-20(10-8-18)13-15-11-17(21-14(15)2)12-19-16-5-6-16/h11,16,19H,4-10,12-13H2,1-3H3
InChIKeyMEQLFDXEVGPLGD-UHFFFAOYSA-N
XLogP3.85
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 63163387
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63160019
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62412420
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417298
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63159756
N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62436871
N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62411045
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556747
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62413294
N-[[5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62427817
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401
N-[[5-methyl-4-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55073034

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (CID 63163389) is N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is CCC1(C)CCN(Cc2cc(CNC3CC3)oc2C)CC1.
What is the InChIKey of N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is MEQLFDXEVGPLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-18(3)7-9-20(10-8-18)13-15-11-17(21-14(15)2)12-19-16-5-6-16/h11,16,19H,4-10,12-13H2,1-3H3.
What are the key properties of N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 290.45 g/mol, XLogP of 3.85, 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]cyclopropanamine is sourced from PubChem (CID 63163389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).