N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine

C15H27N3O — CID 103014575

IUPACN-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCc2ccnn2C)CCOCC1
InChIInChI=1S/C15H27N3O/c1-3-9-16-13-15(7-11-19-12-8-15)6-4-14-5-10-17-18(14)2/h5,10,16H,3-4,6-9,11-13H2,1-2H3
InChIKeyZRRXHERMCPRTJO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.15
Rot. Bonds7

About N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine

N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 103014575) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID103014575
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCc2ccnn2C)CCOCC1
InChIInChI=1S/C15H27N3O/c1-3-9-16-13-15(7-11-19-12-8-15)6-4-14-5-10-17-18(14)2/h5,10,16H,3-4,6-9,11-13H2,1-2H3
InChIKeyZRRXHERMCPRTJO-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.15
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-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014466
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
CID 103014617
5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
CID 103018381
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101
N-[(1-ethylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103735396
N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060
N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719558
N-[[4-(2-phenylsulfanylethyl)oxan-4-yl]methyl]propan-1-amine
CID 79228495
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 62904856
N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 103014837
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 103014764

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine (CID 103014575) is N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CCc2ccnn2C)CCOCC1.
What is the InChIKey of N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is ZRRXHERMCPRTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-9-16-13-15(7-11-19-12-8-15)6-4-14-5-10-17-18(14)2/h5,10,16H,3-4,6-9,11-13H2,1-2H3.
What are the key properties of N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 103014575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).