N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine

C14H27N3O — CID 116720430

IUPACN-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
SMILESCCCn1nccc1C(NCC)C(OC)C(C)C
InChIInChI=1S/C14H27N3O/c1-6-10-17-12(8-9-16-17)13(15-7-2)14(18-5)11(3)4/h8-9,11,13-15H,6-7,10H2,1-5H3
InChIKeyJSFXIHWQJDEZAQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.61
Rot. Bonds8

About N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine

N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine (PubChem CID 116720430) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
PubChem CID116720430
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
SMILESCCCn1nccc1C(NCC)C(OC)C(C)C
InChIInChI=1S/C14H27N3O/c1-6-10-17-12(8-9-16-17)13(15-7-2)14(18-5)11(3)4/h8-9,11,13-15H,6-7,10H2,1-5H3
InChIKeyJSFXIHWQJDEZAQ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 114197724
N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330894
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
CID 115858314
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975323
2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116713015
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63976177
[2-propyl-1-(2-propylpyrazol-3-yl)pentyl]hydrazine
CID 105306943
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
N-ethyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine (CID 116720430) is N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine is CCCn1nccc1C(NCC)C(OC)C(C)C.
What is the InChIKey of N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
The InChIKey is JSFXIHWQJDEZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-10-17-12(8-9-16-17)13(15-7-2)14(18-5)11(3)4/h8-9,11,13-15H,6-7,10H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 116720430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).