N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine

C15H28N2O — CID 55072134

IUPACN-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1ccoc1CNC)C(C)C
InChIInChI=1S/C15H28N2O/c1-5-6-7-9-17(13(2)3)12-14-8-10-18-15(14)11-16-4/h8,10,13,16H,5-7,9,11-12H2,1-4H3
InChIKeyUYQWNZJXDGLAHV-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.40
Rot. Bonds9

About N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine

N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 55072134) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID55072134
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1ccoc1CNC)C(C)C
InChIInChI=1S/C15H28N2O/c1-5-6-7-9-17(13(2)3)12-14-8-10-18-15(14)11-16-4/h8,10,13,16H,5-7,9,11-12H2,1-4H3
InChIKeyUYQWNZJXDGLAHV-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.40
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-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62463764
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55075072
N-ethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]propan-2-amine
CID 62418170
N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine
CID 62462555
N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethylpropan-2-amine
CID 62419344
N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001809
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
N-methyl-1-[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62461527
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
N-methyl-4-nitro-2-[[pentyl(propan-2-yl)amino]methyl]aniline
CID 62208237
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462162
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62463058

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine (CID 55072134) is N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(Cc1ccoc1CNC)C(C)C.
What is the InChIKey of N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is UYQWNZJXDGLAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-6-7-9-17(13(2)3)12-14-8-10-18-15(14)11-16-4/h8,10,13,16H,5-7,9,11-12H2,1-4H3.
What are the key properties of N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 55072134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).