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

C15H25N3O — CID 103014853

IUPACN-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1OCCC1(CCc1cnn(C)c1)CNC1CC1
InChIInChI=1S/C15H25N3O/c1-12-15(7-8-19-12,11-16-14-3-4-14)6-5-13-9-17-18(2)10-13/h9-10,12,14,16H,3-8,11H2,1-2H3
InChIKeyYJCRIRORYMHKGR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.90
Rot. Bonds6

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

N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 103014853) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID103014853
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1OCCC1(CCc1cnn(C)c1)CNC1CC1
InChIInChI=1S/C15H25N3O/c1-12-15(7-8-19-12,11-16-14-3-4-14)6-5-13-9-17-18(2)10-13/h9-10,12,14,16H,3-8,11H2,1-2H3
InChIKeyYJCRIRORYMHKGR-UHFFFAOYSA-N
XLogP1.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 103014849
2-methyl-N-[[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114535006
2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-3-carboxylic acid
CID 103005136
[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine
CID 114534040
N-[[3-[(2,6-dimethylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534899
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 80682729
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61035182
N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 103037001
N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106730412
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine (CID 103014853) is N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine is CC1OCCC1(CCc1cnn(C)c1)CNC1CC1.
What is the InChIKey of N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is YJCRIRORYMHKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-15(7-8-19-12,11-16-14-3-4-14)6-5-13-9-17-18(2)10-13/h9-10,12,14,16H,3-8,11H2,1-2H3.
What are the key properties of N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 1.90, 6 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]cyclopropanamine is sourced from PubChem (CID 103014853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).