N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine

C13H26N4 — CID 83089088

IUPACN-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine
SMILESCCC(C)N(CC)C(CN)c1cn(C)nc1C
InChIInChI=1S/C13H26N4/c1-6-10(3)17(7-2)13(8-14)12-9-16(5)15-11(12)4/h9-10,13H,6-8,14H2,1-5H3
InChIKeyHJEHTIDVXZEWGG-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.85
Rot. Bonds6

About N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine

N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine (PubChem CID 83089088) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine
PubChem CID83089088
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine
SMILESCCC(C)N(CC)C(CN)c1cn(C)nc1C
InChIInChI=1S/C13H26N4/c1-6-10(3)17(7-2)13(8-14)12-9-16(5)15-11(12)4/h9-10,13H,6-8,14H2,1-5H3
InChIKeyHJEHTIDVXZEWGG-UHFFFAOYSA-N
XLogP1.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine (CID 83089088) is N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine is CCC(C)N(CC)C(CN)c1cn(C)nc1C.
What is the InChIKey of N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine?
The InChIKey is HJEHTIDVXZEWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-10(3)17(7-2)13(8-14)12-9-16(5)15-11(12)4/h9-10,13H,6-8,14H2,1-5H3.
What are the key properties of N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine?
N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 83089088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).