N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine

C18H33N3 — CID 107011559

IUPACN-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine
SMILESC=CCCCCCC(CCc1c(C)nn(C)c1C)NCC
InChIInChI=1S/C18H33N3/c1-6-8-9-10-11-12-17(19-7-2)13-14-18-15(3)20-21(5)16(18)4/h6,17,19H,1,7-14H2,2-5H3
InChIKeyPEBOQRCYQVYFDF-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.08
Rot. Bonds11

About N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine

N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine (PubChem CID 107011559) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine
PubChem CID107011559
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine
SMILESC=CCCCCCC(CCc1c(C)nn(C)c1C)NCC
InChIInChI=1S/C18H33N3/c1-6-8-9-10-11-12-17(19-7-2)13-14-18-15(3)20-21(5)16(18)4/h6,17,19H,1,7-14H2,2-5H3
InChIKeyPEBOQRCYQVYFDF-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine
CID 105078315
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine
CID 78993034
3-ethyl-1-methyl-1-pent-4-enyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 109498152
3-ethyl-1-methyl-1-pent-4-enyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 109498151
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
CID 105124668
N-ethyl-6-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
CID 105185140
N-ethyltridec-1-en-5-amine
CID 104987742
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine?
The IUPAC name of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine (CID 107011559) is N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine.
What is the SMILES notation for N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine?
The canonical SMILES for N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine is C=CCCCCCC(CCc1c(C)nn(C)c1C)NCC.
What is the InChIKey of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine?
The InChIKey is PEBOQRCYQVYFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-8-9-10-11-12-17(19-7-2)13-14-18-15(3)20-21(5)16(18)4/h6,17,19H,1,7-14H2,2-5H3.
What are the key properties of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine?
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine has a molecular weight of 291.48 g/mol, XLogP of 4.08, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine is sourced from PubChem (CID 107011559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).