N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine

C13H24N2O — CID 62420758

IUPACN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine
SMILESCCCCCN(C)Cc1cc(CN)c(C)o1
InChIInChI=1S/C13H24N2O/c1-4-5-6-7-15(3)10-13-8-12(9-14)11(2)16-13/h8H,4-7,9-10,14H2,1-3H3
InChIKeyWRQHWKFDRJLOLU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.67
Rot. Bonds7

About N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine

N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine (PubChem CID 62420758) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine
PubChem CID62420758
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine
SMILESCCCCCN(C)Cc1cc(CN)c(C)o1
InChIInChI=1S/C13H24N2O/c1-4-5-6-7-15(3)10-13-8-12(9-14)11(2)16-13/h8H,4-7,9-10,14H2,1-3H3
InChIKeyWRQHWKFDRJLOLU-UHFFFAOYSA-N
XLogP2.67
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.67
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'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436717
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82952579
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine
CID 62436655
2-methyl-N-[[2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62417562
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63008490
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 62435887
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcyclohexanamine
CID 62424073
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcycloheptanamine
CID 55073900
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334
N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102997752
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 65340742

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine (CID 62420758) is N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine is CCCCCN(C)Cc1cc(CN)c(C)o1.
What is the InChIKey of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine?
The InChIKey is WRQHWKFDRJLOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-5-6-7-15(3)10-13-8-12(9-14)11(2)16-13/h8H,4-7,9-10,14H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine?
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 62420758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).