N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine

C13H21NO — CID 105049438

IUPACN-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)C1CCC1
InChIInChI=1S/C13H21NO/c1-3-7-14-13(11-5-4-6-11)12-8-10(2)15-9-12/h8-9,11,13-14H,3-7H2,1-2H3
InChIKeyVTVZEVWKHVMKIR-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.43
Rot. Bonds5

About N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine

N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 105049438) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID105049438
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)C1CCC1
InChIInChI=1S/C13H21NO/c1-3-7-14-13(11-5-4-6-11)12-8-10(2)15-9-12/h8-9,11,13-14H,3-7H2,1-2H3
InChIKeyVTVZEVWKHVMKIR-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[cyclopentyl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374362
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
N-[cycloheptyl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 82932686
N-[(3-bromo-5-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981193
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine (CID 105049438) is N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1coc(C)c1)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is VTVZEVWKHVMKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-7-14-13(11-5-4-6-11)12-8-10(2)15-9-12/h8-9,11,13-14H,3-7H2,1-2H3.
What are the key properties of N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine?
N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105049438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).