2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine

C14H27N3O — CID 103131385

IUPAC2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccn(C)n1)C(OCC)C(C)C
InChIInChI=1S/C14H27N3O/c1-6-9-15-13(12-8-10-17(5)16-12)14(11(3)4)18-7-2/h8,10-11,13-15H,6-7,9H2,1-5H3
InChIKeyBVEBZAVUSQDZMC-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.52
Rot. Bonds8

About 2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine

2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine (PubChem CID 103131385) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
PubChem CID103131385
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccn(C)n1)C(OCC)C(C)C
InChIInChI=1S/C14H27N3O/c1-6-9-15-13(12-8-10-17(5)16-12)14(11(3)4)18-7-2/h8,10-11,13-15H,6-7,9H2,1-5H3
InChIKeyBVEBZAVUSQDZMC-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-1-amine
CID 103131371
1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 103135439
2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine
CID 112744067
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721618
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 103130771
N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131211
2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 116721761
2,2-diethoxy-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131136

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine (CID 103131385) is 2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine is CCCNC(c1ccn(C)n1)C(OCC)C(C)C.
What is the InChIKey of 2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is BVEBZAVUSQDZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-9-15-13(12-8-10-17(5)16-12)14(11(3)4)18-7-2/h8,10-11,13-15H,6-7,9H2,1-5H3.
What are the key properties of 2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 103131385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).