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

C17H30N2O — CID 62412026

IUPACN-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCCC1CCN(Cc2cc(CNC(C)C)oc2C)CC1
InChIInChI=1S/C17H30N2O/c1-5-15-6-8-19(9-7-15)12-16-10-17(20-14(16)4)11-18-13(2)3/h10,13,15,18H,5-9,11-12H2,1-4H3
InChIKeyFPSNVAVFIRPCRU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.71
Rot. Bonds6

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

N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 62412026) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID62412026
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCCC1CCN(Cc2cc(CNC(C)C)oc2C)CC1
InChIInChI=1S/C17H30N2O/c1-5-15-6-8-19(9-7-15)12-16-10-17(20-14(16)4)11-18-13(2)3/h10,13,15,18H,5-9,11-12H2,1-4H3
InChIKeyFPSNVAVFIRPCRU-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[(3-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62432690
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62438593
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412465
N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114413222
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62431233
N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62432159
N-[[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62418259
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
1-[4-[(4-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62421339
N-methyl-1-[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62775548

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine (CID 62412026) is N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine is CCC1CCN(Cc2cc(CNC(C)C)oc2C)CC1.
What is the InChIKey of N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is FPSNVAVFIRPCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-15-6-8-19(9-7-15)12-16-10-17(20-14(16)4)11-18-13(2)3/h10,13,15,18H,5-9,11-12H2,1-4H3.
What are the key properties of N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62412026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).