6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine

C13H25N3 — CID 64505120

IUPAC6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine
SMILESCCn1cc(CCCC(N)C(C)(C)C)cn1
InChIInChI=1S/C13H25N3/c1-5-16-10-11(9-15-16)7-6-8-12(14)13(2,3)4/h9-10,12H,5-8,14H2,1-4H3
InChIKeyNIFKZXDDXTXBJI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.60
Rot. Bonds5

About 6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine

6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine (PubChem CID 64505120) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine
PubChem CID64505120
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine
SMILESCCn1cc(CCCC(N)C(C)(C)C)cn1
InChIInChI=1S/C13H25N3/c1-5-16-10-11(9-15-16)7-6-8-12(14)13(2,3)4/h9-10,12H,5-8,14H2,1-4H3
InChIKeyNIFKZXDDXTXBJI-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-5-methylhexyl)-1-ethylpyrazole
CID 64508208
6-(1-ethylpyrazol-4-yl)hexan-3-ol
CID 64514398
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
6-(1-ethylpyrazol-4-yl)hexan-3-one
CID 64521135
1-(1-ethylpyrazol-4-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069573
1,4-diethylpyrazole;ethane
CID 143641951
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
CID 62126755
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
CID 62725691
6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine
CID 104811931
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine (CID 64505120) is 6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine is CCn1cc(CCCC(N)C(C)(C)C)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine?
The InChIKey is NIFKZXDDXTXBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-16-10-11(9-15-16)7-6-8-12(14)13(2,3)4/h9-10,12H,5-8,14H2,1-4H3.
What are the key properties of 6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine?
6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine is sourced from PubChem (CID 64505120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).