N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine

C16H27N3O — CID 103014837

IUPACN-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCc2ccnn2C)CCOC1C1CC1
InChIInChI=1S/C16H27N3O/c1-3-17-12-16(8-6-14-7-10-18-19(14)2)9-11-20-15(16)13-4-5-13/h7,10,13,15,17H,3-6,8-9,11-12H2,1-2H3
InChIKeyPIYSYGSFIUZGKS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.15
Rot. Bonds7

About N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine

N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 103014837) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
PubChem CID103014837
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCc2ccnn2C)CCOC1C1CC1
InChIInChI=1S/C16H27N3O/c1-3-17-12-16(8-6-14-7-10-18-19(14)2)9-11-20-15(16)13-4-5-13/h7,10,13,15,17H,3-6,8-9,11-12H2,1-2H3
InChIKeyPIYSYGSFIUZGKS-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine
CID 104509696
N-[[2-cyclopropyl-3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509713
N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine
CID 104509700
N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509663
N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509765
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
CID 103014617
N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine
CID 103014575
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103014457
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014466
N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 103014764
N-[[2-cyclopropyl-3-(trimethylsilylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106323947
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine (CID 103014837) is N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CCc2ccnn2C)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is PIYSYGSFIUZGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-17-12-16(8-6-14-7-10-18-19(14)2)9-11-20-15(16)13-4-5-13/h7,10,13,15,17H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine?
N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 277.41 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-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 103014837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).