2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine

C15H27N3O — CID 71929305

IUPAC2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
SMILESCCC(C)(C)CNCC1CCOC1c1cnn(C)c1
InChIInChI=1S/C15H27N3O/c1-5-15(2,3)11-16-8-12-6-7-19-14(12)13-9-17-18(4)10-13/h9-10,12,14,16H,5-8,11H2,1-4H3
InChIKeyVNCYLICWGWIPJN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.52
Rot. Bonds6

About 2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine

2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine (PubChem CID 71929305) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
PubChem CID71929305
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
SMILESCCC(C)(C)CNCC1CCOC1c1cnn(C)c1
InChIInChI=1S/C15H27N3O/c1-5-15(2,3)11-16-8-12-6-7-19-14(12)13-9-17-18(4)10-13/h9-10,12,14,16H,5-8,11H2,1-4H3
InChIKeyVNCYLICWGWIPJN-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine (CID 71929305) is 2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine is CCC(C)(C)CNCC1CCOC1c1cnn(C)c1.
What is the InChIKey of 2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine?
The InChIKey is VNCYLICWGWIPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-15(2,3)11-16-8-12-6-7-19-14(12)13-9-17-18(4)10-13/h9-10,12,14,16H,5-8,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine?
2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 71929305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).