N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine

C17H33N3 — CID 104999295

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
SMILESCCCCCCCC(Cc1cc(CC)nn1C)NCC
InChIInChI=1S/C17H33N3/c1-5-8-9-10-11-12-16(18-7-3)14-17-13-15(6-2)19-20(17)4/h13,16,18H,5-12,14H2,1-4H3
InChIKeyYQRMUYUNRXDJRH-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.86
Rot. Bonds11

About N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine (PubChem CID 104999295) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
PubChem CID104999295
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
SMILESCCCCCCCC(Cc1cc(CC)nn1C)NCC
InChIInChI=1S/C17H33N3/c1-5-8-9-10-11-12-16(18-7-3)14-17-13-15(6-2)19-20(17)4/h13,16,18H,5-12,14H2,1-4H3
InChIKeyYQRMUYUNRXDJRH-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105160208
1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
CID 104998968
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 105160159
1-(3-ethyl-1-methylpyrazol-5-yl)octylhydrazine
CID 105293484
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
CID 116660904
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160161

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine (CID 104999295) is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine is CCCCCCCC(Cc1cc(CC)nn1C)NCC.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine?
The InChIKey is YQRMUYUNRXDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-8-9-10-11-12-16(18-7-3)14-17-13-15(6-2)19-20(17)4/h13,16,18H,5-12,14H2,1-4H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine is sourced from PubChem (CID 104999295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).