2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine

C15H29N3O — CID 116725958

IUPAC2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1cnn(C)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C15H29N3O/c1-7-9-16-13(12-10-17-18(6)11-12)14(19-8-2)15(3,4)5/h10-11,13-14,16H,7-9H2,1-6H3
InChIKeyQRFYSTFXVZJLLV-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.91
Rot. Bonds7

About 2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine

2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine (PubChem CID 116725958) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
PubChem CID116725958
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1cnn(C)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C15H29N3O/c1-7-9-16-13(12-10-17-18(6)11-12)14(19-8-2)15(3,4)5/h10-11,13-14,16H,7-9H2,1-6H3
InChIKeyQRFYSTFXVZJLLV-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116726066
2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116725959
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116724937
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251
[2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutyl]hydrazine
CID 105273722
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726056
2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 79495409
2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
CID 114246305
N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 79496393
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 116726100

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine (CID 116725958) is 2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine is CCCNC(c1cnn(C)c1)C(OCC)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
The InChIKey is QRFYSTFXVZJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-9-16-13(12-10-17-18(6)11-12)14(19-8-2)15(3,4)5/h10-11,13-14,16H,7-9H2,1-6H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 116725958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).