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

C14H25N3O2 — CID 106756981

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCC1CCCO1)c1ccnn1C
InChIInChI=1S/C14H25N3O2/c1-12(14-6-8-16-17(14)2)15-7-4-9-18-11-13-5-3-10-19-13/h6,8,12-13,15H,3-5,7,9-11H2,1-2H3
InChIKeyMQUDOBDCEPIFCI-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.66
Rot. Bonds8

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

N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine (PubChem CID 106756981) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
PubChem CID106756981
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCC1CCCO1)c1ccnn1C
InChIInChI=1S/C14H25N3O2/c1-12(14-6-8-16-17(14)2)15-7-4-9-18-11-13-5-3-10-19-13/h6,8,12-13,15H,3-5,7,9-11H2,1-2H3
InChIKeyMQUDOBDCEPIFCI-UHFFFAOYSA-N
XLogP1.66
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-iodophenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43770023
N-[1-(3,5-dimethylphenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 81296850
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol
CID 43205737
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205741
3-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]benzonitrile
CID 43770038
1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine
CID 102868081
N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757647
4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
CID 43147199
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
1-(furan-2-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propan-1-amine
CID 62632149

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine (CID 106756981) is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine is CC(NCCCOCC1CCCO1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The InChIKey is MQUDOBDCEPIFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-12(14-6-8-16-17(14)2)15-7-4-9-18-11-13-5-3-10-19-13/h6,8,12-13,15H,3-5,7,9-11H2,1-2H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 106756981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).