2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine

C13H26N4 — CID 55041328

IUPAC2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine
SMILESCCN(Cc1cnn(CC)c1)C(C)(CC)CN
InChIInChI=1S/C13H26N4/c1-5-13(4,11-14)16(6-2)9-12-8-15-17(7-3)10-12/h8,10H,5-7,9,11,14H2,1-4H3
InChIKeyDVNHDAFMVRVCIU-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.85
Rot. Bonds7

About 2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine

2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine (PubChem CID 55041328) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine
PubChem CID55041328
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine
SMILESCCN(Cc1cnn(CC)c1)C(C)(CC)CN
InChIInChI=1S/C13H26N4/c1-5-13(4,11-14)16(6-2)9-12-8-15-17(7-3)10-12/h8,10H,5-7,9,11,14H2,1-4H3
InChIKeyDVNHDAFMVRVCIU-UHFFFAOYSA-N
XLogP1.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine
CID 62009172
N'-[(1-ethylpyrazol-4-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652366
1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
CID 66037685
3-[tert-butyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 62125700
2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 62009981
1,4-diethylpyrazole;ethane
CID 143641951
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
CID 62725691
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine
CID 112567934
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine (CID 55041328) is 2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine is CCN(Cc1cnn(CC)c1)C(C)(CC)CN.
What is the InChIKey of 2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine?
The InChIKey is DVNHDAFMVRVCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-13(4,11-14)16(6-2)9-12-8-15-17(7-3)10-12/h8,10H,5-7,9,11,14H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine?
2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine is sourced from PubChem (CID 55041328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).