6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine

C13H25N3 — CID 106800211

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCn1nc(C)cc1C
InChIInChI=1S/C13H25N3/c1-5-13(14-6-2)8-7-9-16-12(4)10-11(3)15-16/h10,13-14H,5-9H2,1-4H3
InChIKeyZBLLOVRTXAANQP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.67
Rot. Bonds7

About 6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine

6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine (PubChem CID 106800211) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine
PubChem CID106800211
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCn1nc(C)cc1C
InChIInChI=1S/C13H25N3/c1-5-13(14-6-2)8-7-9-16-12(4)10-11(3)15-16/h10,13-14H,5-9H2,1-4H3
InChIKeyZBLLOVRTXAANQP-UHFFFAOYSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-(5-methylpyrazol-1-yl)hexan-3-amine
CID 106800447
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62562787
1-cyclopropyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-1-amine
CID 115706698
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine
CID 115706617
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine
CID 115706688
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 106800246
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine (CID 106800211) is 6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine is CCNC(CC)CCCn1nc(C)cc1C.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine?
The InChIKey is ZBLLOVRTXAANQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-13(14-6-2)8-7-9-16-12(4)10-11(3)15-16/h10,13-14H,5-9H2,1-4H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine is sourced from PubChem (CID 106800211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).