N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine

C14H27N3O — CID 103037479

IUPACN-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCn1nccc1CNC(C)(C)C
InChIInChI=1S/C14H27N3O/c1-13(2,3)15-11-12-7-9-16-17(12)10-8-14(4,5)18-6/h7,9,15H,8,10-11H2,1-6H3
InChIKeyRBWZXHMPUOJZPC-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.59
Rot. Bonds6

About N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103037479) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID103037479
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCn1nccc1CNC(C)(C)C
InChIInChI=1S/C14H27N3O/c1-13(2,3)15-11-12-7-9-16-17(12)10-8-14(4,5)18-6/h7,9,15H,8,10-11H2,1-6H3
InChIKeyRBWZXHMPUOJZPC-UHFFFAOYSA-N
XLogP2.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
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-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine (CID 103037479) is N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine is COC(C)(C)CCn1nccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RBWZXHMPUOJZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2,3)15-11-12-7-9-16-17(12)10-8-14(4,5)18-6/h7,9,15H,8,10-11H2,1-6H3.
What are the key properties of N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 253.39 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-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103037479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).