2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine

C13H25N5 — CID 79578678

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
SMILESCc1c(C(CN)N2CCCN(C)CC2)cnn1C
InChIInChI=1S/C13H25N5/c1-11-12(10-15-17(11)3)13(9-14)18-6-4-5-16(2)7-8-18/h10,13H,4-9,14H2,1-3H3
InChIKeyWUCHTMJLUOZSEP-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.37
Rot. Bonds3

About 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine

2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine (PubChem CID 79578678) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
PubChem CID79578678
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
SMILESCc1c(C(CN)N2CCCN(C)CC2)cnn1C
InChIInChI=1S/C13H25N5/c1-11-12(10-15-17(11)3)13(9-14)18-6-4-5-16(2)7-8-18/h10,13H,4-9,14H2,1-3H3
InChIKeyWUCHTMJLUOZSEP-UHFFFAOYSA-N
XLogP0.37
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine (CID 79578678) is 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine is Cc1c(C(CN)N2CCCN(C)CC2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The InChIKey is WUCHTMJLUOZSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11-12(10-15-17(11)3)13(9-14)18-6-4-5-16(2)7-8-18/h10,13H,4-9,14H2,1-3H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine has a molecular weight of 251.38 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine is sourced from PubChem (CID 79578678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).