N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C14H28N4 — CID 64800314

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCC(C)n1ccc(CNCCN(C)C(C)C)n1
InChIInChI=1S/C14H28N4/c1-6-13(4)18-9-7-14(16-18)11-15-8-10-17(5)12(2)3/h7,9,12-13,15H,6,8,10-11H2,1-5H3
InChIKeyHPOFJUYQCBJFGF-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.28
Rot. Bonds8

About N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 64800314) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID64800314
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCC(C)n1ccc(CNCCN(C)C(C)C)n1
InChIInChI=1S/C14H28N4/c1-6-13(4)18-9-7-14(16-18)11-15-8-10-17(5)12(2)3/h7,9,12-13,15H,6,8,10-11H2,1-5H3
InChIKeyHPOFJUYQCBJFGF-UHFFFAOYSA-N
XLogP2.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 64799338
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 64783588
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820
2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide
CID 106237971
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836
2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
CID 64801986
4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66091379
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 64801847
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719105
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778
[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 115454619

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 64800314) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CCC(C)n1ccc(CNCCN(C)C(C)C)n1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HPOFJUYQCBJFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-13(4)18-9-7-14(16-18)11-15-8-10-17(5)12(2)3/h7,9,12-13,15H,6,8,10-11H2,1-5H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 64800314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).