1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine

C14H26N4 — CID 65072552

IUPAC1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine
SMILESCCN1CCCC(Nc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C14H26N4/c1-5-18-9-6-7-13(8-10-18)15-14-11(2)16-17(4)12(14)3/h13,15H,5-10H2,1-4H3
InChIKeyNFWTWBIYCHLOOY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.32
Rot. Bonds3

About 1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine

1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine (PubChem CID 65072552) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine
PubChem CID65072552
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine
SMILESCCN1CCCC(Nc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C14H26N4/c1-5-18-9-6-7-13(8-10-18)15-14-11(2)16-17(4)12(14)3/h13,15H,5-10H2,1-4H3
InChIKeyNFWTWBIYCHLOOY-UHFFFAOYSA-N
XLogP2.32
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine
CID 28515838
1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine
CID 28664348
1-ethyl-N-(2,4,6-trichlorophenyl)azepan-4-amine
CID 65074238
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
tert-butyl 4-[(1,3,5-trimethylpyrazol-4-yl)amino]azepane-1-carboxylate
CID 103980702
ethyl 4-[(1-ethylpiperidin-4-yl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466163
1-ethyl-N-(2,4,6-trimethylphenyl)piperidin-4-amine
CID 54861532
N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine
CID 106821264
N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine
CID 102804462
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylazepan-4-amine
CID 65070393
3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79461633
N-(1-ethylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 63208182

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine (CID 65072552) is 1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine is CCN1CCCC(Nc2c(C)nn(C)c2C)CC1.
What is the InChIKey of 1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine?
The InChIKey is NFWTWBIYCHLOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-18-9-6-7-13(8-10-18)15-14-11(2)16-17(4)12(14)3/h13,15H,5-10H2,1-4H3.
What are the key properties of 1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine?
1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine is sourced from PubChem (CID 65072552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).