N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine

C17H31N3O — CID 81465367

IUPACN,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine
SMILESCCCNCc1cc(CN2CC(C)C(N(C)C)C2)c(C)o1
InChIInChI=1S/C17H31N3O/c1-6-7-18-9-16-8-15(14(3)21-16)11-20-10-13(2)17(12-20)19(4)5/h8,13,17-18H,6-7,9-12H2,1-5H3
InChIKeyQGRVWJKBXQDTBE-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.47
Rot. Bonds7

About N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine (PubChem CID 81465367) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine
PubChem CID81465367
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine
SMILESCCCNCc1cc(CN2CC(C)C(N(C)C)C2)c(C)o1
InChIInChI=1S/C17H31N3O/c1-6-7-18-9-16-8-15(14(3)21-16)11-20-10-13(2)17(12-20)19(4)5/h8,13,17-18H,6-7,9-12H2,1-5H3
InChIKeyQGRVWJKBXQDTBE-UHFFFAOYSA-N
XLogP2.47
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55074153
N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine
CID 81464162
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 102967917
N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62432159
N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62431812
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62427660
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 81464110
1-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81450189

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine (CID 81465367) is N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine is CCCNCc1cc(CN2CC(C)C(N(C)C)C2)c(C)o1.
What is the InChIKey of N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine?
The InChIKey is QGRVWJKBXQDTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-7-18-9-16-8-15(14(3)21-16)11-20-10-13(2)17(12-20)19(4)5/h8,13,17-18H,6-7,9-12H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine has a molecular weight of 293.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81465367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).