N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine

C14H27N3O — CID 103029925

IUPACN-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCCNC(CCc1cnn(C)c1)COC(C)(C)C
InChIInChI=1S/C14H27N3O/c1-6-15-13(11-18-14(2,3)4)8-7-12-9-16-17(5)10-12/h9-10,13,15H,6-8,11H2,1-5H3
InChIKeyOVLNMBZMHFDGFL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.15
Rot. Bonds7

About N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine

N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 103029925) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID103029925
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCCNC(CCc1cnn(C)c1)COC(C)(C)C
InChIInChI=1S/C14H27N3O/c1-6-15-13(11-18-14(2,3)4)8-7-12-9-16-17(5)10-12/h9-10,13,15H,6-8,11H2,1-5H3
InChIKeyOVLNMBZMHFDGFL-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine (CID 103029925) is N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine is CCNC(CCc1cnn(C)c1)COC(C)(C)C.
What is the InChIKey of N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is OVLNMBZMHFDGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-15-13(11-18-14(2,3)4)8-7-12-9-16-17(5)10-12/h9-10,13,15H,6-8,11H2,1-5H3.
What are the key properties of N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
N-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 253.39 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-ethyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 103029925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).