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

C14H27N3 — CID 79405999

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
SMILESCCCCC(Cc1cc(CC)nn1C)NCC
InChIInChI=1S/C14H27N3/c1-5-8-9-13(15-7-3)11-14-10-12(6-2)16-17(14)4/h10,13,15H,5-9,11H2,1-4H3
InChIKeyHTSMSTUQKQBYEA-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.69
Rot. Bonds8

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

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine (PubChem CID 79405999) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
PubChem CID79405999
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
SMILESCCCCC(Cc1cc(CC)nn1C)NCC
InChIInChI=1S/C14H27N3/c1-5-8-9-13(15-7-3)11-14-10-12(6-2)16-17(14)4/h10,13,15H,5-9,11H2,1-4H3
InChIKeyHTSMSTUQKQBYEA-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105160208
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
CID 104998968
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 105160159
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-(1,3-diethylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79412564
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)hexan-2-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine (CID 79405999) is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine is CCCCC(Cc1cc(CC)nn1C)NCC.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine?
The InChIKey is HTSMSTUQKQBYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-9-13(15-7-3)11-14-10-12(6-2)16-17(14)4/h10,13,15H,5-9,11H2,1-4H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.69, 8 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)hexan-2-amine is sourced from PubChem (CID 79405999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).