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

C15H27N3O — CID 103014849

IUPACN-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCc2cnn(C)c2)CCOC1C
InChIInChI=1S/C15H27N3O/c1-4-8-16-12-15(7-9-19-13(15)2)6-5-14-10-17-18(3)11-14/h10-11,13,16H,4-9,12H2,1-3H3
InChIKeyHFKWBSLSGQHBQY-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.15
Rot. Bonds7

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

N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 103014849) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID103014849
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCc2cnn(C)c2)CCOC1C
InChIInChI=1S/C15H27N3O/c1-4-8-16-12-15(7-9-19-13(15)2)6-5-14-10-17-18(3)11-14/h10-11,13,16H,4-9,12H2,1-3H3
InChIKeyHFKWBSLSGQHBQY-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'}

Analyze N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine
CID 103014853
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014465
2-methyl-N-[[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114535006
[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine
CID 114534040
2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-3-carboxylic acid
CID 103005136
N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534558
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534513
N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 106813065
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 107897618
1-methyl-4-propylpyrazole;propane
CID 155742221

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine (CID 103014849) is N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CCc2cnn(C)c2)CCOC1C.
What is the InChIKey of N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is HFKWBSLSGQHBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-8-16-12-15(7-9-19-13(15)2)6-5-14-10-17-18(3)11-14/h10-11,13,16H,4-9,12H2,1-3H3.
What are the key properties of N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-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-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 103014849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).