N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

C16H25N3O — CID 114536319

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(CCCNC(C)c2cc(C)oc2C)n1
InChIInChI=1S/C16H25N3O/c1-11-9-12(2)19(18-11)8-6-7-17-14(4)16-10-13(3)20-15(16)5/h9-10,14,17H,6-8H2,1-5H3
InChIKeyCSBQFCIVIOCFSS-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.45
Rot. Bonds6

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (PubChem CID 114536319) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
PubChem CID114536319
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(CCCNC(C)c2cc(C)oc2C)n1
InChIInChI=1S/C16H25N3O/c1-11-9-12(2)19(18-11)8-6-7-17-14(4)16-10-13(3)20-15(16)5/h9-10,14,17H,6-8H2,1-5H3
InChIKeyCSBQFCIVIOCFSS-UHFFFAOYSA-N
XLogP3.45
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]ethyl]-5-methylphenol
CID 104581513
1-(2,5-dimethylfuran-3-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981125
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706659
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
CID 60864839
3-(3,5-dimethylpyrazol-1-yl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115886215
5-[1-(2,5-dimethylfuran-3-yl)ethylamino]pentanoic acid
CID 103246101
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
CID 64913851
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-phenylbutan-1-amine
CID 114333297
methyl 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanoate
CID 54920642

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (CID 114536319) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is Cc1cc(C)n(CCCNC(C)c2cc(C)oc2C)n1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is CSBQFCIVIOCFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-9-12(2)19(18-11)8-6-7-17-14(4)16-10-13(3)20-15(16)5/h9-10,14,17H,6-8H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 114536319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).