N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine

C13H25N3 — CID 115821878

IUPACN-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine
SMILESCCCC(C)C(Cc1cnn(C)c1)NCC
InChIInChI=1S/C13H25N3/c1-5-7-11(3)13(14-6-2)8-12-9-15-16(4)10-12/h9-11,13-14H,5-8H2,1-4H3
InChIKeyQXJSFFKJEGXZLK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds7

About N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine

N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine (PubChem CID 115821878) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine
PubChem CID115821878
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine
SMILESCCCC(C)C(Cc1cnn(C)c1)NCC
InChIInChI=1S/C13H25N3/c1-5-7-11(3)13(14-6-2)8-12-9-15-16(4)10-12/h9-11,13-14H,5-8H2,1-4H3
InChIKeyQXJSFFKJEGXZLK-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
CID 115821260
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
[3-ethoxy-1-(1-methylpyrazol-4-yl)hexan-2-yl]hydrazine
CID 105271422
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722
N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 105114200
1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 79495508
3-methyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 81020328
1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62796574
3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 116717153
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
1-methyl-4-propylpyrazole;propane
CID 155742221

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine (CID 115821878) is N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine is CCCC(C)C(Cc1cnn(C)c1)NCC.
What is the InChIKey of N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine?
The InChIKey is QXJSFFKJEGXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-11(3)13(14-6-2)8-12-9-15-16(4)10-12/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine?
N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine is sourced from PubChem (CID 115821878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).