N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

C17H30N2O — CID 83221234

IUPACN-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(C)N1Cc1occc1CNCC(C)C
InChIInChI=1S/C17H30N2O/c1-5-16-7-6-14(4)19(16)12-17-15(8-9-20-17)11-18-10-13(2)3/h8-9,13-14,16,18H,5-7,10-12H2,1-4H3
InChIKeyBEMZPDVFBNUFDW-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds7

About N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 83221234) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID83221234
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(C)N1Cc1occc1CNCC(C)C
InChIInChI=1S/C17H30N2O/c1-5-16-7-6-14(4)19(16)12-17-15(8-9-20-17)11-18-10-13(2)3/h8-9,13-14,16,18H,5-7,10-12H2,1-4H3
InChIKeyBEMZPDVFBNUFDW-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114540092
N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63619462
N-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62431404
N-[[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62461599
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 83222111
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62423949
2-methyl-N-[[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413247
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
N-[[3-[(2,5-dimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62431715
N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 55133657
N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 83219785

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (CID 83221234) is N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is CCC1CCC(C)N1Cc1occc1CNCC(C)C.
What is the InChIKey of N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BEMZPDVFBNUFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-16-7-6-14(4)19(16)12-17-15(8-9-20-17)11-18-10-13(2)3/h8-9,13-14,16,18H,5-7,10-12H2,1-4H3.
What are the key properties of N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83221234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).