N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine

C17H30N2O2 — CID 64582400

IUPACN-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCC1CCN(Cc2cc(CNCC(C)C)c(C)o2)C1
InChIInChI=1S/C17H30N2O2/c1-13(2)8-18-9-16-7-17(21-14(16)3)11-19-6-5-15(10-19)12-20-4/h7,13,15,18H,5-6,8-12H2,1-4H3
InChIKeyOKMMJFJOJZFUPU-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.80
Rot. Bonds8

About N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 64582400) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID64582400
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCC1CCN(Cc2cc(CNCC(C)C)c(C)o2)C1
InChIInChI=1S/C17H30N2O2/c1-13(2)8-18-9-16-7-17(21-14(16)3)11-19-6-5-15(10-19)12-20-4/h7,13,15,18H,5-6,8-12H2,1-4H3
InChIKeyOKMMJFJOJZFUPU-UHFFFAOYSA-N
XLogP2.80
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine
CID 64581199
N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 63978153
2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62417857
N-[[5-[(3-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62432690
2-methyl-N-[[2-methyl-5-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62484927
N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63620461
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64582008
N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412026
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616
N-[[2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]ethanamine
CID 66370823
N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine
CID 66339006

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine (CID 64582400) is N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine is COCC1CCN(Cc2cc(CNCC(C)C)c(C)o2)C1.
What is the InChIKey of N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is OKMMJFJOJZFUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(2)8-18-9-16-7-17(21-14(16)3)11-19-6-5-15(10-19)12-20-4/h7,13,15,18H,5-6,8-12H2,1-4H3.
What are the key properties of N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64582400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).