2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine

C16H29N3O — CID 62443116

IUPAC2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCc1nn(CC2CCC(CNCC(C)C)O2)c(C)c1C
InChIInChI=1S/C16H29N3O/c1-11(2)8-17-9-15-6-7-16(20-15)10-19-14(5)12(3)13(4)18-19/h11,15-17H,6-10H2,1-5H3
InChIKeyONGPELHOVJYVIW-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.60
Rot. Bonds6

About 2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62443116) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID62443116
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCc1nn(CC2CCC(CNCC(C)C)O2)c(C)c1C
InChIInChI=1S/C16H29N3O/c1-11(2)8-17-9-15-6-7-16(20-15)10-19-14(5)12(3)13(4)18-19/h11,15-17H,6-10H2,1-5H3
InChIKeyONGPELHOVJYVIW-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (CID 62443116) is 2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is Cc1nn(CC2CCC(CNCC(C)C)O2)c(C)c1C.
What is the InChIKey of 2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is ONGPELHOVJYVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11(2)8-17-9-15-6-7-16(20-15)10-19-14(5)12(3)13(4)18-19/h11,15-17H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62443116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).