N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine

C15H28N2O — CID 63967204

IUPACN,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
SMILESCCCNCc1coc(CN(C)C(C)(C)CC)c1
InChIInChI=1S/C15H28N2O/c1-6-8-16-10-13-9-14(18-12-13)11-17(5)15(3,4)7-2/h9,12,16H,6-8,10-11H2,1-5H3
InChIKeyRERLOOZMQWOCFK-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.40
Rot. Bonds8

About N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine

N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine (PubChem CID 63967204) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
PubChem CID63967204
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
SMILESCCCNCc1coc(CN(C)C(C)(C)CC)c1
InChIInChI=1S/C15H28N2O/c1-6-8-16-10-13-9-14(18-12-13)11-17(5)15(3,4)7-2/h9,12,16H,6-8,10-11H2,1-5H3
InChIKeyRERLOOZMQWOCFK-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63007586
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63838095
4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62437153
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N,2-dimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 63964105
N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62419772
N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 78990027
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682543

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The IUPAC name of N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine (CID 63967204) is N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine is CCCNCc1coc(CN(C)C(C)(C)CC)c1.
What is the InChIKey of N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The InChIKey is RERLOOZMQWOCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-8-16-10-13-9-14(18-12-13)11-17(5)15(3,4)7-2/h9,12,16H,6-8,10-11H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine?
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine has a molecular weight of 252.40 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 63967204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).