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

C17H28N2O — CID 63160019

IUPACN-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCC1(C)CCN(Cc2ccc(CNC3CC3)o2)CC1
InChIInChI=1S/C17H28N2O/c1-3-17(2)8-10-19(11-9-17)13-16-7-6-15(20-16)12-18-14-4-5-14/h6-7,14,18H,3-5,8-13H2,1-2H3
InChIKeyRWIXDTVHRZMEMK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.54
Rot. Bonds6

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

N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 63160019) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID63160019
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCC1(C)CCN(Cc2ccc(CNC3CC3)o2)CC1
InChIInChI=1S/C17H28N2O/c1-3-17(2)8-10-19(11-9-17)13-16-7-6-15(20-16)12-18-14-4-5-14/h6-7,14,18H,3-5,8-13H2,1-2H3
InChIKeyRWIXDTVHRZMEMK-UHFFFAOYSA-N
XLogP3.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-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]cyclopropanamine
CID 63163389
N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62412903
N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62440129
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556747
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63159975
N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 75513016
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55074092
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 75380785
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 63160019) is N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is CCC1(C)CCN(Cc2ccc(CNC3CC3)o2)CC1.
What is the InChIKey of N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is RWIXDTVHRZMEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-17(2)8-10-19(11-9-17)13-16-7-6-15(20-16)12-18-14-4-5-14/h6-7,14,18H,3-5,8-13H2,1-2H3.
What are the key properties of N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 276.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63160019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).