N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine

C17H29N3O — CID 79910321

IUPACN-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(C2CCOC3(CCCCC3)C2)c1
InChIInChI=1S/C17H29N3O/c1-3-18-14(2)15-12-19-20(13-15)16-7-10-21-17(11-16)8-5-4-6-9-17/h12-14,16,18H,3-11H2,1-2H3
InChIKeyZXUIFEDDASKIMR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.61
Rot. Bonds4

About N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine

N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine (PubChem CID 79910321) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine
PubChem CID79910321
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(C2CCOC3(CCCCC3)C2)c1
InChIInChI=1S/C17H29N3O/c1-3-18-14(2)15-12-19-20(13-15)16-7-10-21-17(11-16)8-5-4-6-9-17/h12-14,16,18H,3-11H2,1-2H3
InChIKeyZXUIFEDDASKIMR-UHFFFAOYSA-N
XLogP3.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]ethyl]propan-1-amine
CID 79919225
4-(1-chloroethyl)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrazole
CID 79919826
4-(1-chloroethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrazole
CID 79919589
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919453
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol
CID 79920064
N-[[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79910305
1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine
CID 79920068
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]ethanamine
CID 79909032
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919582
N-[[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]methyl]ethanamine
CID 79909835
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine
CID 79909028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine (CID 79910321) is N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine is CCNC(C)c1cnn(C2CCOC3(CCCCC3)C2)c1.
What is the InChIKey of N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine?
The InChIKey is ZXUIFEDDASKIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-18-14(2)15-12-19-20(13-15)16-7-10-21-17(11-16)8-5-4-6-9-17/h12-14,16,18H,3-11H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine?
N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 79910321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).