2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine

C16H32N4 — CID 64801567

IUPAC2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine
SMILESCCC(C)n1ccc(CN(CC)C(CC)(CC)CN)n1
InChIInChI=1S/C16H32N4/c1-6-14(5)20-11-10-15(18-20)12-19(9-4)16(7-2,8-3)13-17/h10-11,14H,6-9,12-13,17H2,1-5H3
InChIKeyYRONQNPONUQDPI-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds9

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

2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine (PubChem CID 64801567) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine
PubChem CID64801567
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine
SMILESCCC(C)n1ccc(CN(CC)C(CC)(CC)CN)n1
InChIInChI=1S/C16H32N4/c1-6-14(5)20-11-10-15(18-20)12-19(9-4)16(7-2,8-3)13-17/h10-11,14H,6-9,12-13,17H2,1-5H3
InChIKeyYRONQNPONUQDPI-UHFFFAOYSA-N
XLogP3.19
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 64801185
2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 82865540
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine
CID 64800225
2-N-ethyl-2-methyl-2-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 64800801
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propan-2-ylamino]ethanethioamide
CID 64801134
N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799449
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 64773049
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801478
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
CID 64777688

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine?
The IUPAC name of 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine (CID 64801567) is 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine is CCC(C)n1ccc(CN(CC)C(CC)(CC)CN)n1.
What is the InChIKey of 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine?
The InChIKey is YRONQNPONUQDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-6-14(5)20-11-10-15(18-20)12-19(9-4)16(7-2,8-3)13-17/h10-11,14H,6-9,12-13,17H2,1-5H3.
What are the key properties of 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine?
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine has a molecular weight of 280.46 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine is sourced from PubChem (CID 64801567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).