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

C15H28N2O — CID 62462443

IUPACN,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN(C)CC(C)(C)C
InChIInChI=1S/C15H28N2O/c1-6-8-16-10-14-13(7-9-18-14)11-17(5)12-15(2,3)4/h7,9,16H,6,8,10-12H2,1-5H3
InChIKeyCOTNZBPKMBEKRS-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.26
Rot. Bonds7

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

N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 62462443) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID62462443
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN(C)CC(C)(C)C
InChIInChI=1S/C15H28N2O/c1-6-8-16-10-14-13(7-9-18-14)11-17(5)12-15(2,3)4/h7,9,16H,6,8,10-12H2,1-5H3
InChIKeyCOTNZBPKMBEKRS-UHFFFAOYSA-N
XLogP3.26
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 63964105
N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411816
N-[[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461529
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62438844
3-methoxy-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 63008845
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 107454799
1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine
CID 62436022
2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62434727
N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62419327
2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine
CID 62428704
N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
CID 63726681
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine (CID 62462443) is N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine is CCCNCc1occc1CN(C)CC(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is COTNZBPKMBEKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-8-16-10-14-13(7-9-18-14)11-17(5)12-15(2,3)4/h7,9,16H,6,8,10-12H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine?
N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62462443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).