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

C17H30N2O — CID 63159975

IUPACN-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCCC1(C)CCN(Cc2ccc(CNC(C)C)o2)CC1
InChIInChI=1S/C17H30N2O/c1-5-17(4)8-10-19(11-9-17)13-16-7-6-15(20-16)12-18-14(2)3/h6-7,14,18H,5,8-13H2,1-4H3
InChIKeyDQUKSDBTTUHRPP-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds6

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

N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 63159975) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID63159975
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCCC1(C)CCN(Cc2ccc(CNC(C)C)o2)CC1
InChIInChI=1S/C17H30N2O/c1-5-17(4)8-10-19(11-9-17)13-16-7-6-15(20-16)12-18-14(2)3/h6-7,14,18H,5,8-13H2,1-4H3
InChIKeyDQUKSDBTTUHRPP-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-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]propan-2-amine
CID 63163387
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556748
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63160019
N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62774837
N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63159888
N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63627373
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114537889
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62434242
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62411193
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63159756
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572468
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63574155

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 63159975) is N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is CCC1(C)CCN(Cc2ccc(CNC(C)C)o2)CC1.
What is the InChIKey of N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is DQUKSDBTTUHRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-17(4)8-10-19(11-9-17)13-16-7-6-15(20-16)12-18-14(2)3/h6-7,14,18H,5,8-13H2,1-4H3.
What are the key properties of N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 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]propan-2-amine is sourced from PubChem (CID 63159975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).