N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine

C16H29N3O2 — CID 65352897

IUPACN-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)CC)n1)C1COCCO1
InChIInChI=1S/C16H29N3O2/c1-4-7-17-15(16-12-20-9-10-21-16)11-14-6-8-19(18-14)13(3)5-2/h6,8,13,15-17H,4-5,7,9-12H2,1-3H3
InChIKeyYIEBOHMYLTUMOB-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.18
Rot. Bonds8

About N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine

N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine (PubChem CID 65352897) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
PubChem CID65352897
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)CC)n1)C1COCCO1
InChIInChI=1S/C16H29N3O2/c1-4-7-17-15(16-12-20-9-10-21-16)11-14-6-8-19(18-14)13(3)5-2/h6,8,13,15-17H,4-5,7,9-12H2,1-3H3
InChIKeyYIEBOHMYLTUMOB-UHFFFAOYSA-N
XLogP2.18
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546820
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104989907
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962351
N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 115824336
[2-(1-butan-2-ylpyrazol-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229429
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 65334393
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
N-[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352843
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
1-(1,4-dioxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 65352692

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine (CID 65352897) is N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccn(C(C)CC)n1)C1COCCO1.
What is the InChIKey of N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine?
The InChIKey is YIEBOHMYLTUMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-7-17-15(16-12-20-9-10-21-16)11-14-6-8-19(18-14)13(3)5-2/h6,8,13,15-17H,4-5,7,9-12H2,1-3H3.
What are the key properties of N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine?
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65352897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).