5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine

C13H25N3 — CID 115970276

IUPAC5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
SMILESCc1[nH]ncc1C(C)NC(C)CCC(C)C
InChIInChI=1S/C13H25N3/c1-9(2)6-7-10(3)15-11(4)13-8-14-16-12(13)5/h8-11,15H,6-7H2,1-5H3,(H,14,16)
InChIKeyIJFUHFHOHKYGIF-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.19
Rot. Bonds6

About 5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine

5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine (PubChem CID 115970276) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
PubChem CID115970276
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
SMILESCc1[nH]ncc1C(C)NC(C)CCC(C)C
InChIInChI=1S/C13H25N3/c1-9(2)6-7-10(3)15-11(4)13-8-14-16-12(13)5/h8-11,15H,6-7H2,1-5H3,(H,14,16)
InChIKeyIJFUHFHOHKYGIF-UHFFFAOYSA-N
XLogP3.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine
CID 115975774
4-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115972844
1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine
CID 115972460
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 115970374
5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
CID 106281815
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115972031
2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol
CID 110011147
N'-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115971793
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326
1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 43209035

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine (CID 115970276) is 5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine is Cc1[nH]ncc1C(C)NC(C)CCC(C)C.
What is the InChIKey of 5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine?
The InChIKey is IJFUHFHOHKYGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)6-7-10(3)15-11(4)13-8-14-16-12(13)5/h8-11,15H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine?
5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 115970276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).