N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine

C15H27N3O — CID 116524238

IUPACN-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnn1CC1CCC(C)(C)O1
InChIInChI=1S/C15H27N3O/c1-12(2)9-16-10-13-6-8-17-18(13)11-14-5-7-15(3,4)19-14/h6,8,12,14,16H,5,7,9-11H2,1-4H3
InChIKeyNGVDCWALILEKFG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.59
Rot. Bonds6

About N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 116524238) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID116524238
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnn1CC1CCC(C)(C)O1
InChIInChI=1S/C15H27N3O/c1-12(2)9-16-10-13-6-8-17-18(13)11-14-5-7-15(3,4)19-14/h6,8,12,14,16H,5,7,9-11H2,1-4H3
InChIKeyNGVDCWALILEKFG-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine (CID 116524238) is N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccnn1CC1CCC(C)(C)O1.
What is the InChIKey of N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NGVDCWALILEKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)9-16-10-13-6-8-17-18(13)11-14-5-7-15(3,4)19-14/h6,8,12,14,16H,5,7,9-11H2,1-4H3.
What are the key properties of N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116524238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).